Basic information
- Standard SMILES
CCNCCc1c[nH]c2ccccc12- InChIKey
TZWUSTVNAVKAPA-UHFFFAOYSA-N- Molecular formula
- C12H16N2
- Average molar mass
- 188.27 g/mol
- Monoisotopic mass
- 188.13134851
Names & identifiers
- Preferred name
- N-Ethyltryptamine
- IUPAC
- N-ethyl-2-(1H-indol-3-yl)ethanamine
- English name
- 3-[2-(ETHYLAMINO)ETHYL]INDOLE
- Molecular formula
- C12H16N2
- Molecular weight
- 188.27
Names & synonyms
N-EthyltryptamineINDOLE, 3-(2-(ETHYLAMINO)ETHYL)-3-(2-(Ethylamino)ethyl)indoleBRN 0137776M6X6KY3BQH1H-Indole-3-ethanamine, N-ethyl-DTXSID902098485-22-10-00049 (Beilstein Handbook Reference)RefChem:163373DTXCID401323391H-Indole-3-ethanamine, N-ethyl-(9CI)Ethyltryptamine
Show more names
UKRORGSYN-BB BBV-1639253-[2-(ETHYLAMINO)ETHYL]INDOLEN-ETHYL-1H-INDOLE-3-ETHANAMINEINDOLE, 3-(2-(ETHYLAMINO)ETHYL)-(WXG01210)
61-53-0N-ethyl-2-(1H-indol-3-yl)ethanamineCHEMBL3330640N-ethyl-tryptaminN-ethyl-tryptamineUNII-M6X6KY3BQHSCHEMBL1972829TZWUSTVNAVKAPA-UHFFFAOYSA-N
Database identifiers
- CAS
61-53-0- PubChem CID
- 6092
- DTXSID
DTXSID90209848- ChEMBL
CHEMBL3330640- UNII
- M6X6KY3BQH
- Nikkaji
- J407.207C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 27.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- CAS DataBase Reference
- 61 · 61-53-0
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 6 X6KY3BQH · M6X6KY3BQH
Chemistry & industry
Suppliers1 total
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
Related reactions
7 records
Linked notes
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