[1-(5-chloro-3-methoxy-2,4-dimethylphenyl)cyclohexyl]methanamine

C16H24ClNO — CID 117452765

IUPAC[1-(5-chloro-3-methoxy-2,4-dimethylphenyl)cyclohexyl]methanamine
SMILESCOc1c(C)c(Cl)cc(C2(CN)CCCCC2)c1C
InChIInChI=1S/C16H24ClNO/c1-11-13(9-14(17)12(2)15(11)19-3)16(10-18)7-5-4-6-8-16/h9H,4-8,10,18H2,1-3H3
InChIKeyJQOKUSFVBYLTPW-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.13
Rot. Bonds3

About [1-(5-chloro-3-methoxy-2,4-dimethylphenyl)cyclohexyl]methanamine

[1-(5-chloro-3-methoxy-2,4-dimethylphenyl)cyclohexyl]methanamine (PubChem CID 117452765) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is [1-(5-chloro-3-methoxy-2,4-dimethylphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(5-chloro-3-methoxy-2,4-dimethylphenyl)cyclohexyl]methanamine
PubChem CID117452765
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name[1-(5-chloro-3-methoxy-2,4-dimethylphenyl)cyclohexyl]methanamine
SMILESCOc1c(C)c(Cl)cc(C2(CN)CCCCC2)c1C
InChIInChI=1S/C16H24ClNO/c1-11-13(9-14(17)12(2)15(11)19-3)16(10-18)7-5-4-6-8-16/h9H,4-8,10,18H2,1-3H3
InChIKeyJQOKUSFVBYLTPW-UHFFFAOYSA-N
XLogP4.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-chloro-2,3-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456510
[1-(2-chloro-4,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456508
[1-(5-chloro-3,4-difluoro-2-methoxyphenyl)cyclopentyl]methanamine
CID 117441379
[1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)cyclohexyl]methanamine
CID 117460449
[1-(3-chloro-2-methoxyphenyl)cyclohexyl]methanamine
CID 117387762
[1-(2,3-dimethoxy-5-methylphenyl)cyclopentyl]methanamine
CID 117377027
[1-(4-chloro-2,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456502
[1-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)cyclopentyl]methanamine
CID 117479564
[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclohexyl]methanamine
CID 117432368
[1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclobutyl]methanamine
CID 117377054
[1-(3,5-dimethoxy-2-methylphenyl)cyclopentyl]methanamine
CID 117377436
[1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopentyl]methanamine
CID 117456529

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-3-methoxy-2,4-dimethylphenyl)cyclohexyl]methanamine?
The IUPAC name of [1-(5-chloro-3-methoxy-2,4-dimethylphenyl)cyclohexyl]methanamine (CID 117452765) is [1-(5-chloro-3-methoxy-2,4-dimethylphenyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(5-chloro-3-methoxy-2,4-dimethylphenyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(5-chloro-3-methoxy-2,4-dimethylphenyl)cyclohexyl]methanamine is COc1c(C)c(Cl)cc(C2(CN)CCCCC2)c1C.
What is the InChIKey of [1-(5-chloro-3-methoxy-2,4-dimethylphenyl)cyclohexyl]methanamine?
The InChIKey is JQOKUSFVBYLTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-11-13(9-14(17)12(2)15(11)19-3)16(10-18)7-5-4-6-8-16/h9H,4-8,10,18H2,1-3H3.
What are the key properties of [1-(5-chloro-3-methoxy-2,4-dimethylphenyl)cyclohexyl]methanamine?
[1-(5-chloro-3-methoxy-2,4-dimethylphenyl)cyclohexyl]methanamine has a molecular weight of 281.83 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-3-methoxy-2,4-dimethylphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 117452765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).