3-[(6-Methoxy-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methyl]-4-methylhexan-1-ol
Basic information
- CAS
14358-60-2- Standard SMILES
CCC(C)C(CCO)CC1c2[nH]c3ccc(OC)cc3c2CCN1C- InChIKey
HIFLNJJPRCMCBK-UHFFFAOYSA-N- Molecular formula
- C21H32N2O2
- Average molar mass
- 344.5 g/mol
Names & identifiers
- Preferred name
- 3-[(6-Methoxy-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methyl]-4-methylhexan-1-ol
- IUPAC
- 3-[(6-methoxy-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methyl]-4-methylhexan-1-ol
- English name
- γ-sec-Butyl-2,3,4,9-tetrahydro-6-methoxy-2-methyl-1H-pyrido[3,4-b]indole-1-(1-butanol)
- Molecular formula
- C21H32N2O2
- Molecular weight
- 344.49
Names & synonyms
HIFLNJJPRCMCBK-UHFFFAOYSA-N3-[(6-methoxy-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methyl]-4-methylhexan-1-olgamma-sec-Butyl-2,3,4,9-tetrahydro-6-methoxy-2-methyl-1H-pyrido[3,4-b]indole-1-(1-butanol)14358-60-21H-Pyrido[3,4-b]indole-1-butanol, .gamma.-sec-butyl-2,3,4,9-tetrahydro-6-methoxy-2-methyl-3-[(6-Methoxy-2-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl)methyl]-4-methyl-1-hexanol #γ-sec-Butyl-2,3,4,9-tetrahydro-6-methoxy-2-methyl-1H-pyrido[3,4-b]indole-1-(1-butanol)1H-Pyrido[3,4-b]indole-1-butanol, γ-sec-butyl-2,3,4,9-tetrahydro-6-methoxy-2-methyl- (7CI,8CI)
Database identifiers
- CAS
14358-60-2- Nikkaji
- J145.792F
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 48.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 419
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Compound notes
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