[1-(4-methoxy-3-methyl-1H-indol-5-yl)cyclohexyl]methanamine

C17H24N2O — CID 117434063

IUPAC[1-(4-methoxy-3-methyl-1H-indol-5-yl)cyclohexyl]methanamine
SMILESCOc1c(C2(CN)CCCCC2)ccc2[nH]cc(C)c12
InChIInChI=1S/C17H24N2O/c1-12-10-19-14-7-6-13(16(20-2)15(12)14)17(11-18)8-4-3-5-9-17/h6-7,10,19H,3-5,8-9,11,18H2,1-2H3
InChIKeyMAZBRZZIWBCRHM-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.65
Rot. Bonds3

About [1-(4-methoxy-3-methyl-1H-indol-5-yl)cyclohexyl]methanamine

[1-(4-methoxy-3-methyl-1H-indol-5-yl)cyclohexyl]methanamine (PubChem CID 117434063) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is [1-(4-methoxy-3-methyl-1H-indol-5-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(4-methoxy-3-methyl-1H-indol-5-yl)cyclohexyl]methanamine
PubChem CID117434063
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name[1-(4-methoxy-3-methyl-1H-indol-5-yl)cyclohexyl]methanamine
SMILESCOc1c(C2(CN)CCCCC2)ccc2[nH]cc(C)c12
InChIInChI=1S/C17H24N2O/c1-12-10-19-14-7-6-13(16(20-2)15(12)14)17(11-18)8-4-3-5-9-17/h6-7,10,19H,3-5,8-9,11,18H2,1-2H3
InChIKeyMAZBRZZIWBCRHM-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-(4-chloro-2,3-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456510
[1-(3-ethyl-2,4-dimethoxyphenyl)cyclohexyl]methanamine
CID 117444901
[1-(2,3-dimethoxy-4-methylsulfanylphenyl)cyclopentyl]methanamine
CID 117451936
[1-(3-fluoro-2-methoxy-6-methylphenyl)cyclopentyl]methanamine
CID 117347431
[1-(7-methoxy-4-methyl-1H-indol-3-yl)cyclopentyl]methanamine
CID 82500166
[1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclohexyl]methanamine
CID 117459551
6-[1-(aminomethyl)cyclohexyl]-2,3-dimethoxyphenol
CID 117417803
[1-(2,3-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351215
[1-(2-methoxy-3,4-dimethylphenyl)cyclopropyl]methanamine
CID 117293943
[1-(6-methyl-1H-indol-3-yl)cyclopentyl]methanamine
CID 82494852
[1-(5-ethoxy-1H-indol-3-yl)cyclohexyl]methanamine
CID 95432584
[1-(2,3-dimethoxy-5-methylphenyl)cyclopentyl]methanamine
CID 117377027

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxy-3-methyl-1H-indol-5-yl)cyclohexyl]methanamine?
The IUPAC name of [1-(4-methoxy-3-methyl-1H-indol-5-yl)cyclohexyl]methanamine (CID 117434063) is [1-(4-methoxy-3-methyl-1H-indol-5-yl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(4-methoxy-3-methyl-1H-indol-5-yl)cyclohexyl]methanamine?
The canonical SMILES for [1-(4-methoxy-3-methyl-1H-indol-5-yl)cyclohexyl]methanamine is COc1c(C2(CN)CCCCC2)ccc2[nH]cc(C)c12.
What is the InChIKey of [1-(4-methoxy-3-methyl-1H-indol-5-yl)cyclohexyl]methanamine?
The InChIKey is MAZBRZZIWBCRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-10-19-14-7-6-13(16(20-2)15(12)14)17(11-18)8-4-3-5-9-17/h6-7,10,19H,3-5,8-9,11,18H2,1-2H3.
What are the key properties of [1-(4-methoxy-3-methyl-1H-indol-5-yl)cyclohexyl]methanamine?
[1-(4-methoxy-3-methyl-1H-indol-5-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-(4-methoxy-3-methyl-1H-indol-5-yl)cyclohexyl]methanamine is sourced from PubChem (CID 117434063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).