[1-(4-chloro-2,3-dimethoxyphenyl)cyclohexyl]methanamine

C15H22ClNO2 — CID 117456510

IUPAC[1-(4-chloro-2,3-dimethoxyphenyl)cyclohexyl]methanamine
SMILESCOc1c(Cl)ccc(C2(CN)CCCCC2)c1OC
InChIInChI=1S/C15H22ClNO2/c1-18-13-11(6-7-12(16)14(13)19-2)15(10-17)8-4-3-5-9-15/h6-7H,3-5,8-10,17H2,1-2H3
InChIKeyVMTGRBMRTWFTLX-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.52
Rot. Bonds4

About [1-(4-chloro-2,3-dimethoxyphenyl)cyclohexyl]methanamine

[1-(4-chloro-2,3-dimethoxyphenyl)cyclohexyl]methanamine (PubChem CID 117456510) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is [1-(4-chloro-2,3-dimethoxyphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(4-chloro-2,3-dimethoxyphenyl)cyclohexyl]methanamine
PubChem CID117456510
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name[1-(4-chloro-2,3-dimethoxyphenyl)cyclohexyl]methanamine
SMILESCOc1c(Cl)ccc(C2(CN)CCCCC2)c1OC
InChIInChI=1S/C15H22ClNO2/c1-18-13-11(6-7-12(16)14(13)19-2)15(10-17)8-4-3-5-9-15/h6-7H,3-5,8-10,17H2,1-2H3
InChIKeyVMTGRBMRTWFTLX-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-(3-chloro-2-methoxyphenyl)cyclohexyl]methanamine
CID 117387762
[1-(3-chloro-2-methoxyphenyl)cyclobutyl]methanamine
CID 131255085
[1-(3-chloro-2,6-dimethoxyphenyl)cyclopentyl]methanamine
CID 117427815
3-[1-(aminomethyl)cyclopropyl]-6-chloro-2-methoxyphenol
CID 117327619
[1-(3-chloro-6-fluoro-2-methoxyphenyl)cyclopentyl]methanamine
CID 117397976
[1-(5-chloro-3-methoxy-2,4-dimethylphenyl)cyclohexyl]methanamine
CID 117452765
[1-(2,3-dimethoxy-4-methylsulfanylphenyl)cyclopentyl]methanamine
CID 117451936
[1-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)cyclopentyl]methanamine
CID 117479564
[1-(2-chloro-3,4-dimethoxyphenyl)cyclobutyl]methanamine
CID 117392400
[1-[2,3-dimethoxy-4-(trifluoromethyl)phenyl]cyclopentyl]methanamine
CID 117488347
6-[1-(aminomethyl)cyclohexyl]-2,3-dimethoxyphenol
CID 117417803
[1-(2-chloro-4,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456508

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-2,3-dimethoxyphenyl)cyclohexyl]methanamine?
The IUPAC name of [1-(4-chloro-2,3-dimethoxyphenyl)cyclohexyl]methanamine (CID 117456510) is [1-(4-chloro-2,3-dimethoxyphenyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(4-chloro-2,3-dimethoxyphenyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(4-chloro-2,3-dimethoxyphenyl)cyclohexyl]methanamine is COc1c(Cl)ccc(C2(CN)CCCCC2)c1OC.
What is the InChIKey of [1-(4-chloro-2,3-dimethoxyphenyl)cyclohexyl]methanamine?
The InChIKey is VMTGRBMRTWFTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-18-13-11(6-7-12(16)14(13)19-2)15(10-17)8-4-3-5-9-15/h6-7H,3-5,8-10,17H2,1-2H3.
What are the key properties of [1-(4-chloro-2,3-dimethoxyphenyl)cyclohexyl]methanamine?
[1-(4-chloro-2,3-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-(4-chloro-2,3-dimethoxyphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 117456510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).