1-(4-chloro-3-methoxyphenyl)cyclohexan-1-amine

C13H18ClNO — CID 79700571

IUPAC1-(4-chloro-3-methoxyphenyl)cyclohexan-1-amine
SMILESCOc1cc(C2(N)CCCCC2)ccc1Cl
InChIInChI=1S/C13H18ClNO/c1-16-12-9-10(5-6-11(12)14)13(15)7-3-2-4-8-13/h5-6,9H,2-4,7-8,15H2,1H3
InChIKeyGRMYUKBITOZOQS-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.47
Rot. Bonds2

About 1-(4-chloro-3-methoxyphenyl)cyclohexan-1-amine

1-(4-chloro-3-methoxyphenyl)cyclohexan-1-amine (PubChem CID 79700571) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)cyclohexan-1-amine
PubChem CID79700571
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name1-(4-chloro-3-methoxyphenyl)cyclohexan-1-amine
SMILESCOc1cc(C2(N)CCCCC2)ccc1Cl
InChIInChI=1S/C13H18ClNO/c1-16-12-9-10(5-6-11(12)14)13(15)7-3-2-4-8-13/h5-6,9H,2-4,7-8,15H2,1H3
InChIKeyGRMYUKBITOZOQS-UHFFFAOYSA-N
XLogP3.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chloro-3-methoxyphenyl)oxan-4-amine
CID 79700577
1-(3-methoxy-4-methylphenyl)cycloheptan-1-amine
CID 43146596
1-(3-chloro-5-methoxy-4-methylphenyl)cyclohexan-1-amine
CID 117387617
1-(3,4-dichlorophenyl)cycloheptan-1-amine
CID 43164287
1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclohexan-1-amine
CID 117423312
1-(3-cyclohexyl-4-methoxyphenyl)cyclopentan-1-amine
CID 117436595
8-(4-chloro-3-methoxyphenyl)spiro[4.5]decan-8-ol
CID 114819278
1-(4-chloro-3-methoxyphenyl)-2,3-dimethylcyclohexan-1-amine
CID 79698794
1-(4-chloro-3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 79701029
1-(4-fluoro-3,5-dimethoxyphenyl)cyclopentan-1-amine
CID 84799752
1-(3-methoxy-4,5-dimethylphenyl)cyclohexan-1-amine
CID 117339192
5-(1-aminocyclopentyl)-2-methoxybenzonitrile
CID 84784738

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)cyclohexan-1-amine?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)cyclohexan-1-amine (CID 79700571) is 1-(4-chloro-3-methoxyphenyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)cyclohexan-1-amine?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)cyclohexan-1-amine is COc1cc(C2(N)CCCCC2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)cyclohexan-1-amine?
The InChIKey is GRMYUKBITOZOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-16-12-9-10(5-6-11(12)14)13(15)7-3-2-4-8-13/h5-6,9H,2-4,7-8,15H2,1H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)cyclohexan-1-amine?
1-(4-chloro-3-methoxyphenyl)cyclohexan-1-amine has a molecular weight of 239.75 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)cyclohexan-1-amine is sourced from PubChem (CID 79700571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).