Identification

PhytoHub ID
PHUB000787
Name
Tryptamine
Systematic Name
Not Available
Synonyms
  • 3-(2-Aminoethyl)indole
CAS Number
Not Available
Average Mass
160.22
Monoisotopic Mass
160.100048394
Chemical Formula
C10H12N2
IUPAC Name
2-(1H-indol-3-yl)ethan-1-amine
InChI Key
APJYDQYYACXCRM-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
SMILES
NCCC1=CNC2=C1C=CC=C2
Structure

Calculated Properties

Solubility (ALOGPS)
1.34e+00 g/l
LogS (ALOGPS)
-2.08
LogP (ALOGPS)
1.21
Hydrogen Acceptors
1
Hydrogen Donors
2
Rotatable Bond Count
2
Polar Surface Area
41.81
Refractivity
50.37290000000001
Polarizability
18.334668849889468
Formal Charge
0
Physiological Charge
1
pKa (strongest basic)
9.733973681017083
pKa (strongest acidic)
17.170311785836876
Number of Rings
2
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
N-containing compounds
Class
Amines
Sub-class
Not Available

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Indoles and derivatives
Super-class
Organoheterocyclic compounds
Sub-class
Tryptamines and derivatives
Direct Parent Name
Tryptamines and derivatives
Alternative Parent Names
["2-arylethylamines", "3-alkylindoles", "Aralkylamines", "Azacyclic compounds", "Benzenoids", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Monoalkylamines", "Organopnictogen compounds", "Substituted pyrroles"]
External Descriptor Annotations
["Indole alkaloids", "aminoalkylindole", "aralkylamino compound", "indole alkaloid", "tryptamines"]
Substituent Names
["2-arylethylamine", "3-alkylindole", "Amine", "Aralkylamine", "Aromatic heteropolycyclic compound", "Azacycle", "Benzenoid", "Heteroaromatic compound", "Hydrocarbon derivative", "Indole", "Organic nitrogen compound", "Organonitrogen compound", "Organopnictogen compound", "Primary aliphatic amine", "Primary amine", "Pyrrole", "Substituted pyrrole", "Tryptamine"]

Spectra from Online Resources

Record IDSourceDescriptionView
GLS00090MassBankEI-B Spectrum - -, unspecifiedView Spectra
JP002028MassBankEI-B Spectrum - -, [M]+*View Spectra
KO004142MassBankLC-ESI-QQ Spectrum - 10 V, unspecifiedView Spectra
KO004143MassBankLC-ESI-QQ Spectrum - 20 V, unspecifiedView Spectra
KO004144MassBankLC-ESI-QQ Spectrum - 30 V, unspecifiedView Spectra
KO004145MassBankLC-ESI-QQ Spectrum - 40 V, unspecifiedView Spectra
KO004146MassBankLC-ESI-QQ Spectrum - 50 V, unspecifiedView Spectra
KZ000271MassBankGC-EI-TOF Spectrum - -, unspecifiedView Spectra
KZ000272MassBankGC-EI-TOF Spectrum - -, unspecifiedView Spectra
OUF00478MassBankGC-EI-TOF Spectrum - -, unspecifiedView Spectra
PR010102MassBankGC-EI-TOF Spectrum - -, unspecifiedView Spectra
PR010103MassBankGC-EI-TOF Spectrum - -, unspecifiedView Spectra
PS006901ReSpectN/A Spectrum - 10, [M+H]+View Spectra
PS006902ReSpectN/A Spectrum - 20, [M+H]+View Spectra
PS006903ReSpectN/A Spectrum - 30, [M+H]+View Spectra
PS006904ReSpectN/A Spectrum - 40, [M+H]+View Spectra
WA002432MassBankLC-ESI-Q Spectrum - -, unspecifiedView Spectra
WA002433MassBankLC-ESI-Q Spectrum - -, unspecifiedView Spectra
WA002434MassBankLC-ESI-Q Spectrum - -, unspecifiedView Spectra
WA002435MassBankLC-ESI-Q Spectrum - -, unspecifiedView Spectra
WA002436MassBankLC-ESI-Q Spectrum - -, unspecifiedView Spectra

Food Sources

NameGroup
Cherry tomatoVegetables, Fruit vegetables PublicationsShow
Chinese cabbageVegetables, Cabbages PublicationsShow
Hot chili (Capsicum annuum, C. frutescens)Vegetables, Fruit vegetables PublicationsShow
KiwiFruit, Tropical fruits PublicationsShow
KohlrabiVegetables, Root vegetables PublicationsShow
LettuceVegetables, Leaf vegetables PublicationsShow
StrawberryFruit, Berries PublicationsShow
Swede (Rutabaga)Vegetables, Root vegetables PublicationsShow
TomatoVegetables, Fruit vegetables PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Broccoli and mustard glucosinolates TryptamineNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC10H12N2160.100048394 Detailed Intervention Studies

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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