[1-[2-chloro-6-(methoxymethyl)phenyl]cyclohexyl]methanamine

C15H22ClNO — CID 117423394

IUPAC[1-[2-chloro-6-(methoxymethyl)phenyl]cyclohexyl]methanamine
SMILESCOCc1cccc(Cl)c1C1(CN)CCCCC1
InChIInChI=1S/C15H22ClNO/c1-18-10-12-6-5-7-13(16)14(12)15(11-17)8-3-2-4-9-15/h5-7H,2-4,8-11,17H2,1H3
InChIKeyJVKBYYLYAVSWGK-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.65
Rot. Bonds4

About [1-[2-chloro-6-(methoxymethyl)phenyl]cyclohexyl]methanamine

[1-[2-chloro-6-(methoxymethyl)phenyl]cyclohexyl]methanamine (PubChem CID 117423394) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is [1-[2-chloro-6-(methoxymethyl)phenyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[2-chloro-6-(methoxymethyl)phenyl]cyclohexyl]methanamine
PubChem CID117423394
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name[1-[2-chloro-6-(methoxymethyl)phenyl]cyclohexyl]methanamine
SMILESCOCc1cccc(Cl)c1C1(CN)CCCCC1
InChIInChI=1S/C15H22ClNO/c1-18-10-12-6-5-7-13(16)14(12)15(11-17)8-3-2-4-9-15/h5-7H,2-4,8-11,17H2,1H3
InChIKeyJVKBYYLYAVSWGK-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[2-bromo-6-(methoxymethyl)phenyl]cyclobutyl]methanamine
CID 117457397
[1-(2,6-dichlorophenyl)cyclobutyl]methanamine;hydrochloride
CID 86201221
[1-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]cyclohexyl]methanamine
CID 117479545
[1-(2-chloro-6-methylsulfanylphenyl)cyclohexyl]methanamine
CID 117428108
[1-(3-chloro-2-methoxyphenyl)cyclohexyl]methanamine
CID 117387762
2-[1-(aminomethyl)cyclopentyl]-3-chloro-N,N-dimethylaniline
CID 117384952
[1-(2,6-diethylphenyl)cyclohexyl]methanamine
CID 117366409
[1-[2-fluoro-3-(methoxymethyl)phenyl]cyclobutyl]methanamine
CID 117320226
[1-(3-chloro-2,6-dimethoxyphenyl)cyclopentyl]methanamine
CID 117427815
[1-(6-chloro-2,3-dimethylphenyl)cyclohexyl]methanamine
CID 117382961
[1-(3-chloro-2-methoxyphenyl)cyclobutyl]methanamine
CID 131255085
[1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine
CID 117417809

Frequently Asked Questions

What is the IUPAC name of [1-[2-chloro-6-(methoxymethyl)phenyl]cyclohexyl]methanamine?
The IUPAC name of [1-[2-chloro-6-(methoxymethyl)phenyl]cyclohexyl]methanamine (CID 117423394) is [1-[2-chloro-6-(methoxymethyl)phenyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[2-chloro-6-(methoxymethyl)phenyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[2-chloro-6-(methoxymethyl)phenyl]cyclohexyl]methanamine is COCc1cccc(Cl)c1C1(CN)CCCCC1.
What is the InChIKey of [1-[2-chloro-6-(methoxymethyl)phenyl]cyclohexyl]methanamine?
The InChIKey is JVKBYYLYAVSWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-18-10-12-6-5-7-13(16)14(12)15(11-17)8-3-2-4-9-15/h5-7H,2-4,8-11,17H2,1H3.
What are the key properties of [1-[2-chloro-6-(methoxymethyl)phenyl]cyclohexyl]methanamine?
[1-[2-chloro-6-(methoxymethyl)phenyl]cyclohexyl]methanamine has a molecular weight of 267.80 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-chloro-6-(methoxymethyl)phenyl]cyclohexyl]methanamine is sourced from PubChem (CID 117423394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).