[1-(7-methoxy-4-methyl-1H-indol-3-yl)cyclopentyl]methanamine

C16H22N2O — CID 82500166

IUPAC[1-(7-methoxy-4-methyl-1H-indol-3-yl)cyclopentyl]methanamine
SMILESCOc1ccc(C)c2c(C3(CN)CCCC3)c[nH]c12
InChIInChI=1S/C16H22N2O/c1-11-5-6-13(19-2)15-14(11)12(9-18-15)16(10-17)7-3-4-8-16/h5-6,9,18H,3-4,7-8,10,17H2,1-2H3
InChIKeyCLMMTRDBUIHEFG-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.26
Rot. Bonds3

About [1-(7-methoxy-4-methyl-1H-indol-3-yl)cyclopentyl]methanamine

[1-(7-methoxy-4-methyl-1H-indol-3-yl)cyclopentyl]methanamine (PubChem CID 82500166) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is [1-(7-methoxy-4-methyl-1H-indol-3-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(7-methoxy-4-methyl-1H-indol-3-yl)cyclopentyl]methanamine
PubChem CID82500166
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name[1-(7-methoxy-4-methyl-1H-indol-3-yl)cyclopentyl]methanamine
SMILESCOc1ccc(C)c2c(C3(CN)CCCC3)c[nH]c12
InChIInChI=1S/C16H22N2O/c1-11-5-6-13(19-2)15-14(11)12(9-18-15)16(10-17)7-3-4-8-16/h5-6,9,18H,3-4,7-8,10,17H2,1-2H3
InChIKeyCLMMTRDBUIHEFG-UHFFFAOYSA-N
XLogP3.26
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [1-(7-methoxy-4-methyl-1H-indol-3-yl)cyclopentyl]methanamine with MolForge

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Related Compounds

[1-(7-methoxy-5-methyl-1H-indol-3-yl)cyclohexyl]methanamine
CID 96679652
[1-(2-fluoro-6-methoxy-3-methylphenyl)cyclohexyl]methanamine
CID 117382107
[1-(4-methoxy-3-methyl-1H-indol-5-yl)cyclohexyl]methanamine
CID 117434063
[1-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine
CID 82499041
2-[1-(aminomethyl)cyclobutyl]-6-methoxy-3-methylphenol
CID 117316580
6-[1-(aminomethyl)cyclopentyl]-3-methoxy-2-methylphenol
CID 117342791
[1-(3-ethyl-2,4-dimethoxyphenyl)cyclohexyl]methanamine
CID 117444901
[1-(2-fluoro-3,6-dimethoxyphenyl)cyclopentyl]methanamine
CID 117386175
[1-(2,3-dimethoxy-5-methylphenyl)cyclopentyl]methanamine
CID 117377027
[1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclobutyl]methanamine
CID 117365897
[1-(3-bromo-2,4-dimethoxyphenyl)cyclopentyl]methanamine
CID 117499488
[1-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)cyclopentyl]methanamine
CID 117426956

Frequently Asked Questions

What is the IUPAC name of [1-(7-methoxy-4-methyl-1H-indol-3-yl)cyclopentyl]methanamine?
The IUPAC name of [1-(7-methoxy-4-methyl-1H-indol-3-yl)cyclopentyl]methanamine (CID 82500166) is [1-(7-methoxy-4-methyl-1H-indol-3-yl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(7-methoxy-4-methyl-1H-indol-3-yl)cyclopentyl]methanamine?
The canonical SMILES for [1-(7-methoxy-4-methyl-1H-indol-3-yl)cyclopentyl]methanamine is COc1ccc(C)c2c(C3(CN)CCCC3)c[nH]c12.
What is the InChIKey of [1-(7-methoxy-4-methyl-1H-indol-3-yl)cyclopentyl]methanamine?
The InChIKey is CLMMTRDBUIHEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-5-6-13(19-2)15-14(11)12(9-18-15)16(10-17)7-3-4-8-16/h5-6,9,18H,3-4,7-8,10,17H2,1-2H3.
What are the key properties of [1-(7-methoxy-4-methyl-1H-indol-3-yl)cyclopentyl]methanamine?
[1-(7-methoxy-4-methyl-1H-indol-3-yl)cyclopentyl]methanamine has a molecular weight of 258.36 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-methoxy-4-methyl-1H-indol-3-yl)cyclopentyl]methanamine is sourced from PubChem (CID 82500166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).