[1-(7-methoxy-5-methyl-1H-indol-3-yl)cyclohexyl]methanamine

C17H24N2O — CID 96679652

IUPAC[1-(7-methoxy-5-methyl-1H-indol-3-yl)cyclohexyl]methanamine
SMILESCOc1cc(C)cc2c(C3(CN)CCCCC3)c[nH]c12
InChIInChI=1S/C17H24N2O/c1-12-8-13-14(10-19-16(13)15(9-12)20-2)17(11-18)6-4-3-5-7-17/h8-10,19H,3-7,11,18H2,1-2H3
InChIKeyXNLUVQYSPIOOQH-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.65
Rot. Bonds3

About [1-(7-methoxy-5-methyl-1H-indol-3-yl)cyclohexyl]methanamine

[1-(7-methoxy-5-methyl-1H-indol-3-yl)cyclohexyl]methanamine (PubChem CID 96679652) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is [1-(7-methoxy-5-methyl-1H-indol-3-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(7-methoxy-5-methyl-1H-indol-3-yl)cyclohexyl]methanamine
PubChem CID96679652
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name[1-(7-methoxy-5-methyl-1H-indol-3-yl)cyclohexyl]methanamine
SMILESCOc1cc(C)cc2c(C3(CN)CCCCC3)c[nH]c12
InChIInChI=1S/C17H24N2O/c1-12-8-13-14(10-19-16(13)15(9-12)20-2)17(11-18)6-4-3-5-7-17/h8-10,19H,3-7,11,18H2,1-2H3
InChIKeyXNLUVQYSPIOOQH-UHFFFAOYSA-N
XLogP3.65
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2,3-dimethoxy-5-methylphenyl)cyclopentyl]methanamine
CID 117377027
[1-(7-methoxy-4-methyl-1H-indol-3-yl)cyclopentyl]methanamine
CID 82500166
[1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclobutyl]methanamine
CID 117377054
[1-(6-methyl-1H-indol-3-yl)cyclopentyl]methanamine
CID 82494852
[1-(4-chloro-2,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456502
[1-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine
CID 82499041
[1-(3-fluoro-2-methoxy-5-methylphenyl)cyclobutyl]methanamine
CID 117320250
[1-(2-chloro-4,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456508
[1-(3,5-dimethoxy-2-methylphenyl)cyclopentyl]methanamine
CID 117377436
[1-(2,3,5-trimethoxyphenyl)cyclobutyl]methanamine
CID 117381441
2-(7-methoxy-5-methyl-1H-indol-3-yl)propan-1-amine
CID 82493647
[1-(5-fluoro-2-methoxy-4-methylphenyl)cyclohexyl]methanamine
CID 117382102

Frequently Asked Questions

What is the IUPAC name of [1-(7-methoxy-5-methyl-1H-indol-3-yl)cyclohexyl]methanamine?
The IUPAC name of [1-(7-methoxy-5-methyl-1H-indol-3-yl)cyclohexyl]methanamine (CID 96679652) is [1-(7-methoxy-5-methyl-1H-indol-3-yl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(7-methoxy-5-methyl-1H-indol-3-yl)cyclohexyl]methanamine?
The canonical SMILES for [1-(7-methoxy-5-methyl-1H-indol-3-yl)cyclohexyl]methanamine is COc1cc(C)cc2c(C3(CN)CCCCC3)c[nH]c12.
What is the InChIKey of [1-(7-methoxy-5-methyl-1H-indol-3-yl)cyclohexyl]methanamine?
The InChIKey is XNLUVQYSPIOOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-8-13-14(10-19-16(13)15(9-12)20-2)17(11-18)6-4-3-5-7-17/h8-10,19H,3-7,11,18H2,1-2H3.
What are the key properties of [1-(7-methoxy-5-methyl-1H-indol-3-yl)cyclohexyl]methanamine?
[1-(7-methoxy-5-methyl-1H-indol-3-yl)cyclohexyl]methanamine has a molecular weight of 272.39 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-methoxy-5-methyl-1H-indol-3-yl)cyclohexyl]methanamine is sourced from PubChem (CID 96679652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).