1H-Benz(g)indole-1-ethanamine, 4,5-dihydro-8-methoxy-alpha-methyl-, (S)-

HCID 3045241

Notes Reactions

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Basic information

CAS: 170493-70-6
Standard SMILES: COc1ccc2c(c1)-c1c(ccn1C[C@H](C)N)CC2
InChIKey: WEVMVHGDQZICTG-NSHDSACASA-N
Molecular formula: C16H20N2O
Average molar mass: 256.34 g/mol
Monoisotopic mass: 256.15756327

Names & identifiers

Preferred name: 1H-Benz(g)indole-1-ethanamine, 4,5-dihydro-8-methoxy-alpha-methyl-, (S)-
IUPAC: (2S)-1-(8-methoxy-4,5-dihydrobenzo[g]indol-1-yl)propan-2-amine

Names & synonyms

RO 60-0241170493-70-61H-Benz(g)indole-1-ethanamine, 4,5-dihydro-8-methoxy-alpha-methyl-, (S)-SCHEMBL8600974DTXSID10168867WEVMVHGDQZICTG-NSHDSACASA-N(2S)-1-(8-Methoxy-4,5-dihydro-1H-benzo[g]indol-1-yl)propan-2-amine(S)-2-(4,5-dihydro-8-methoxy-1H-benz[g]indol-1-yl)-1-methyl-ethylamine1H-Benz(g)indole-1-ethanamine, 4,5-dihydro-8-methoxy-alpha-methyl-, (alphaS)-

Database identifiers

CAS: 170493-70-6
PubChem CID: 3045241
DTXSID: DTXSID10168867
Nikkaji: J973.450C

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 40.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 309

Related reactions

1 records

New reaction record

HRID 264382As reactantuspto-grants-1997_07

Compound notes

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