[1-(2-chloro-4,5-dimethoxyphenyl)cyclohexyl]methanamine

C15H22ClNO2 — CID 117456508

IUPAC[1-(2-chloro-4,5-dimethoxyphenyl)cyclohexyl]methanamine
SMILESCOc1cc(Cl)c(C2(CN)CCCCC2)cc1OC
InChIInChI=1S/C15H22ClNO2/c1-18-13-8-11(12(16)9-14(13)19-2)15(10-17)6-4-3-5-7-15/h8-9H,3-7,10,17H2,1-2H3
InChIKeyCPHQRVXRJDZPRZ-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.52
Rot. Bonds4

About [1-(2-chloro-4,5-dimethoxyphenyl)cyclohexyl]methanamine

[1-(2-chloro-4,5-dimethoxyphenyl)cyclohexyl]methanamine (PubChem CID 117456508) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is [1-(2-chloro-4,5-dimethoxyphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2-chloro-4,5-dimethoxyphenyl)cyclohexyl]methanamine
PubChem CID117456508
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name[1-(2-chloro-4,5-dimethoxyphenyl)cyclohexyl]methanamine
SMILESCOc1cc(Cl)c(C2(CN)CCCCC2)cc1OC
InChIInChI=1S/C15H22ClNO2/c1-18-13-8-11(12(16)9-14(13)19-2)15(10-17)6-4-3-5-7-15/h8-9H,3-7,10,17H2,1-2H3
InChIKeyCPHQRVXRJDZPRZ-UHFFFAOYSA-N
XLogP3.52
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-chloro-2,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456502
2-[1-(aminomethyl)cyclopentyl]-5-chloro-4-methoxyphenol
CID 117392957
[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclohexyl]methanamine
CID 117432368
[1-(5-chloro-3-methoxy-2,4-dimethylphenyl)cyclohexyl]methanamine
CID 117452765
[1-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine
CID 82499041
[1-(3-chloro-4-methoxyphenyl)cyclohexyl]methanamine
CID 82499570
[1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
CID 117444927
[1-(4-chloro-2,3-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456510
[1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopentyl]methanamine
CID 117473584
[1-(2-chloro-5-fluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117397977
[1-(2-fluoro-5-methoxy-4-methylphenyl)cyclohexyl]methanamine
CID 117382086
[1-(2,5-dimethoxy-4-methylsulfanylphenyl)cyclohexyl]methanamine
CID 117476236

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-4,5-dimethoxyphenyl)cyclohexyl]methanamine?
The IUPAC name of [1-(2-chloro-4,5-dimethoxyphenyl)cyclohexyl]methanamine (CID 117456508) is [1-(2-chloro-4,5-dimethoxyphenyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(2-chloro-4,5-dimethoxyphenyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(2-chloro-4,5-dimethoxyphenyl)cyclohexyl]methanamine is COc1cc(Cl)c(C2(CN)CCCCC2)cc1OC.
What is the InChIKey of [1-(2-chloro-4,5-dimethoxyphenyl)cyclohexyl]methanamine?
The InChIKey is CPHQRVXRJDZPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-18-13-8-11(12(16)9-14(13)19-2)15(10-17)6-4-3-5-7-15/h8-9H,3-7,10,17H2,1-2H3.
What are the key properties of [1-(2-chloro-4,5-dimethoxyphenyl)cyclohexyl]methanamine?
[1-(2-chloro-4,5-dimethoxyphenyl)cyclohexyl]methanamine has a molecular weight of 283.80 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-4,5-dimethoxyphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 117456508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).