[1-[(2-chlorophenyl)methoxy]-3-methylcyclohexyl]methanamine

C15H22ClNO — CID 62109260

IUPAC[1-[(2-chlorophenyl)methoxy]-3-methylcyclohexyl]methanamine
SMILESCC1CCCC(CN)(OCc2ccccc2Cl)C1
InChIInChI=1S/C15H22ClNO/c1-12-5-4-8-15(9-12,11-17)18-10-13-6-2-3-7-14(13)16/h2-3,6-7,12H,4-5,8-11,17H2,1H3
InChIKeyCZQCZYZBVVSHHZ-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.76
Rot. Bonds4

About [1-[(2-chlorophenyl)methoxy]-3-methylcyclohexyl]methanamine

[1-[(2-chlorophenyl)methoxy]-3-methylcyclohexyl]methanamine (PubChem CID 62109260) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methoxy]-3-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(2-chlorophenyl)methoxy]-3-methylcyclohexyl]methanamine
PubChem CID62109260
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name[1-[(2-chlorophenyl)methoxy]-3-methylcyclohexyl]methanamine
SMILESCC1CCCC(CN)(OCc2ccccc2Cl)C1
InChIInChI=1S/C15H22ClNO/c1-12-5-4-8-15(9-12,11-17)18-10-13-6-2-3-7-14(13)16/h2-3,6-7,12H,4-5,8-11,17H2,1H3
InChIKeyCZQCZYZBVVSHHZ-UHFFFAOYSA-N
XLogP3.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(2-fluorophenyl)methoxy]-3-methylcyclohexyl]methanamine
CID 63932832
[3-methyl-1-[(3-methylphenyl)methoxy]cyclohexyl]methanamine
CID 65052350
[1-[(3-bromophenyl)methoxy]-3-methylcyclohexyl]methanamine
CID 82832048
[3-methyl-1-(pyridin-3-ylmethoxy)cyclohexyl]methanamine
CID 65052254
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3-methylcyclohexyl]methanamine
CID 66417314
1-[1-[(2-fluorophenyl)methoxy]-3-methylcyclohexyl]-N-methylmethanamine
CID 63934456
2-(2-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749891
2-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol
CID 116754964
N-[[1-[(2-fluorophenyl)methoxy]-3-methylcyclohexyl]methyl]propan-2-amine
CID 63934062
(1-methoxy-3-methylcyclohexyl)methanamine
CID 15495984
2-[1-[(2-chlorophenyl)methoxy]cyclobutyl]acetic acid
CID 103272478
N-[[1-[(2-chlorophenyl)methoxy]cyclopentyl]methyl]propan-1-amine
CID 62105997

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenyl)methoxy]-3-methylcyclohexyl]methanamine?
The IUPAC name of [1-[(2-chlorophenyl)methoxy]-3-methylcyclohexyl]methanamine (CID 62109260) is [1-[(2-chlorophenyl)methoxy]-3-methylcyclohexyl]methanamine.
What is the SMILES notation for [1-[(2-chlorophenyl)methoxy]-3-methylcyclohexyl]methanamine?
The canonical SMILES for [1-[(2-chlorophenyl)methoxy]-3-methylcyclohexyl]methanamine is CC1CCCC(CN)(OCc2ccccc2Cl)C1.
What is the InChIKey of [1-[(2-chlorophenyl)methoxy]-3-methylcyclohexyl]methanamine?
The InChIKey is CZQCZYZBVVSHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-12-5-4-8-15(9-12,11-17)18-10-13-6-2-3-7-14(13)16/h2-3,6-7,12H,4-5,8-11,17H2,1H3.
What are the key properties of [1-[(2-chlorophenyl)methoxy]-3-methylcyclohexyl]methanamine?
[1-[(2-chlorophenyl)methoxy]-3-methylcyclohexyl]methanamine has a molecular weight of 267.80 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chlorophenyl)methoxy]-3-methylcyclohexyl]methanamine is sourced from PubChem (CID 62109260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).