N-Butyl-1H-indole-3-ethanamine
Basic information
- CAS
14121-19-8- Standard SMILES
CCCCNCCc1c[nH]c2ccccc12- InChIKey
SYJRXRVYSQCOCF-UHFFFAOYSA-N- Molecular formula
- C14H20N2
- Average molar mass
- 216.32 g/mol
- Monoisotopic mass
- 216.16264865
Names & identifiers
- Preferred name
- N-Butyl-1H-indole-3-ethanamine
- IUPAC
- N-[2-(1H-indol-3-yl)ethyl]butan-1-amine
Names & synonyms
N-Butyl-1H-indole-3-ethanamine14121-19-8RefChem:363530N-n-butyl-tryptamineN-[2-(1H-indol-3-yl)ethyl]butan-1-amineSCHEMBL11178880SYJRXRVYSQCOCF-UHFFFAOYSA-NDTXSID801305384AKOS002633051
Database identifiers
- CAS
14121-19-8- PubChem CID
- 45582
- DTXSID
DTXSID801305384
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 27.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 193
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Related reactions
1 records
Compound notes
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