(2S)-1-(6-methoxy-1H-indol-3-yl)propan-2-amine
Basic information
- CAS
114127-45-6- Standard SMILES
COc1ccc2c(C[C@H](C)N)c[nH]c2c1- InChIKey
CMYKARMYSPCRCF-QMMMGPOBSA-N- Molecular formula
- C12H16N2O
- Average molar mass
- 204.27 g/mol
- Monoisotopic mass
- 204.12626314
Names & identifiers
- Preferred name
- (2S)-1-(6-methoxy-1H-indol-3-yl)propan-2-amine
- IUPAC
- (2S)-1-(6-methoxy-1H-indol-3-yl)propan-2-amine
Names & synonyms
CHEMBL1788282(2S)-1-(6-methoxy-1H-indol-3-yl)propan-2-amine114127-45-6DTXSID601232864BDBM502274591H-Indole-3-ethanamine, 6-methoxy-I+/--methyl-, (S)-
Database identifiers
- CAS
114127-45-6- PubChem CID
- 899056
- DTXSID
DTXSID601232864- ChEMBL
CHEMBL1788282
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 210
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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