[1-(7-methoxy-1-methylindol-3-yl)cyclohexyl]methanamine

C17H24N2O — CID 95432617

IUPAC[1-(7-methoxy-1-methylindol-3-yl)cyclohexyl]methanamine
SMILESCOc1cccc2c(C3(CN)CCCCC3)cn(C)c12
InChIInChI=1S/C17H24N2O/c1-19-11-14(17(12-18)9-4-3-5-10-17)13-7-6-8-15(20-2)16(13)19/h6-8,11H,3-5,9-10,12,18H2,1-2H3
InChIKeyQIMOSRXKLYVPPD-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.35
Rot. Bonds3

About [1-(7-methoxy-1-methylindol-3-yl)cyclohexyl]methanamine

[1-(7-methoxy-1-methylindol-3-yl)cyclohexyl]methanamine (PubChem CID 95432617) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is [1-(7-methoxy-1-methylindol-3-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(7-methoxy-1-methylindol-3-yl)cyclohexyl]methanamine
PubChem CID95432617
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name[1-(7-methoxy-1-methylindol-3-yl)cyclohexyl]methanamine
SMILESCOc1cccc2c(C3(CN)CCCCC3)cn(C)c12
InChIInChI=1S/C17H24N2O/c1-19-11-14(17(12-18)9-4-3-5-10-17)13-7-6-8-15(20-2)16(13)19/h6-8,11H,3-5,9-10,12,18H2,1-2H3
InChIKeyQIMOSRXKLYVPPD-UHFFFAOYSA-N
XLogP3.35
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(7-chloro-1-methylindol-3-yl)cyclopropyl]methanamine
CID 82278339
[1-(5,7-dimethoxy-1-methylindol-3-yl)cyclopropyl]methanamine
CID 82500584
[1-(1,5-dimethoxynaphthalen-2-yl)cyclopentyl]methanamine
CID 117459820
[1-(1-methyl-7-propan-2-ylindol-3-yl)cyclopropyl]methanamine
CID 82278337
[1-[2-(fluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine
CID 117347425
[1-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 82611087
[1-(2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine
CID 117407993
[1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117377419
[1-(3-chloro-2-methoxyphenyl)cyclohexyl]methanamine
CID 117387762
[1-[2-(difluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine
CID 117391291
[1-(1-methylindol-3-yl)cyclopropyl]methanamine
CID 82278323
6-[1-(aminomethyl)cyclohexyl]-2,3-dimethoxyphenol
CID 117417803

Frequently Asked Questions

What is the IUPAC name of [1-(7-methoxy-1-methylindol-3-yl)cyclohexyl]methanamine?
The IUPAC name of [1-(7-methoxy-1-methylindol-3-yl)cyclohexyl]methanamine (CID 95432617) is [1-(7-methoxy-1-methylindol-3-yl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(7-methoxy-1-methylindol-3-yl)cyclohexyl]methanamine?
The canonical SMILES for [1-(7-methoxy-1-methylindol-3-yl)cyclohexyl]methanamine is COc1cccc2c(C3(CN)CCCCC3)cn(C)c12.
What is the InChIKey of [1-(7-methoxy-1-methylindol-3-yl)cyclohexyl]methanamine?
The InChIKey is QIMOSRXKLYVPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-19-11-14(17(12-18)9-4-3-5-10-17)13-7-6-8-15(20-2)16(13)19/h6-8,11H,3-5,9-10,12,18H2,1-2H3.
What are the key properties of [1-(7-methoxy-1-methylindol-3-yl)cyclohexyl]methanamine?
[1-(7-methoxy-1-methylindol-3-yl)cyclohexyl]methanamine has a molecular weight of 272.39 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-methoxy-1-methylindol-3-yl)cyclohexyl]methanamine is sourced from PubChem (CID 95432617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).