[1-(3-chloro-2-methoxyphenyl)cyclohexyl]methanamine

C14H20ClNO — CID 117387762

IUPAC[1-(3-chloro-2-methoxyphenyl)cyclohexyl]methanamine
SMILESCOc1c(Cl)cccc1C1(CN)CCCCC1
InChIInChI=1S/C14H20ClNO/c1-17-13-11(6-5-7-12(13)15)14(10-16)8-3-2-4-9-14/h5-7H,2-4,8-10,16H2,1H3
InChIKeyAQLGORHLUOZLNI-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.51
Rot. Bonds3

About [1-(3-chloro-2-methoxyphenyl)cyclohexyl]methanamine

[1-(3-chloro-2-methoxyphenyl)cyclohexyl]methanamine (PubChem CID 117387762) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is [1-(3-chloro-2-methoxyphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3-chloro-2-methoxyphenyl)cyclohexyl]methanamine
PubChem CID117387762
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name[1-(3-chloro-2-methoxyphenyl)cyclohexyl]methanamine
SMILESCOc1c(Cl)cccc1C1(CN)CCCCC1
InChIInChI=1S/C14H20ClNO/c1-17-13-11(6-5-7-12(13)15)14(10-16)8-3-2-4-9-14/h5-7H,2-4,8-10,16H2,1H3
InChIKeyAQLGORHLUOZLNI-UHFFFAOYSA-N
XLogP3.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-chloro-2-methoxyphenyl)cyclobutyl]methanamine
CID 131255085
[1-(4-chloro-2,3-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456510
[1-(3-chloro-2,6-dimethoxyphenyl)cyclopentyl]methanamine
CID 117427815
[1-(2-methoxy-3-methylsulfonylphenyl)cyclohexyl]methanamine
CID 117479118
[1-(3-chloro-6-fluoro-2-methoxyphenyl)cyclopentyl]methanamine
CID 117397976
[1-(5-chloro-3-methoxy-2,4-dimethylphenyl)cyclohexyl]methanamine
CID 117452765
[1-[2-chloro-6-(methoxymethyl)phenyl]cyclohexyl]methanamine
CID 117423394
[1-(2-methoxy-3-methylsulfanylphenyl)cyclobutyl]methanamine
CID 117347808
[1-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 82611087
[1-(2-chloro-4,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456508
[1-(5-chloro-3,4-difluoro-2-methoxyphenyl)cyclopentyl]methanamine
CID 117441379
[1-(3-chloro-1H-indol-7-yl)cyclohexyl]methanamine
CID 117411533

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-2-methoxyphenyl)cyclohexyl]methanamine?
The IUPAC name of [1-(3-chloro-2-methoxyphenyl)cyclohexyl]methanamine (CID 117387762) is [1-(3-chloro-2-methoxyphenyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(3-chloro-2-methoxyphenyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(3-chloro-2-methoxyphenyl)cyclohexyl]methanamine is COc1c(Cl)cccc1C1(CN)CCCCC1.
What is the InChIKey of [1-(3-chloro-2-methoxyphenyl)cyclohexyl]methanamine?
The InChIKey is AQLGORHLUOZLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-17-13-11(6-5-7-12(13)15)14(10-16)8-3-2-4-9-14/h5-7H,2-4,8-10,16H2,1H3.
What are the key properties of [1-(3-chloro-2-methoxyphenyl)cyclohexyl]methanamine?
[1-(3-chloro-2-methoxyphenyl)cyclohexyl]methanamine has a molecular weight of 253.77 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-2-methoxyphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 117387762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).