1-(4-chloro-5-methoxy-2-methylphenyl)cyclopentan-1-amine

C13H18ClNO — CID 84800208

IUPAC1-(4-chloro-5-methoxy-2-methylphenyl)cyclopentan-1-amine
SMILESCOc1cc(C2(N)CCCC2)c(C)cc1Cl
InChIInChI=1S/C13H18ClNO/c1-9-7-11(14)12(16-2)8-10(9)13(15)5-3-4-6-13/h7-8H,3-6,15H2,1-2H3
InChIKeyHVLQCZHEDMLNSI-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.39
Rot. Bonds2

About 1-(4-chloro-5-methoxy-2-methylphenyl)cyclopentan-1-amine

1-(4-chloro-5-methoxy-2-methylphenyl)cyclopentan-1-amine (PubChem CID 84800208) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 1-(4-chloro-5-methoxy-2-methylphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-5-methoxy-2-methylphenyl)cyclopentan-1-amine
PubChem CID84800208
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name1-(4-chloro-5-methoxy-2-methylphenyl)cyclopentan-1-amine
SMILESCOc1cc(C2(N)CCCC2)c(C)cc1Cl
InChIInChI=1S/C13H18ClNO/c1-9-7-11(14)12(16-2)8-10(9)13(15)5-3-4-6-13/h7-8H,3-6,15H2,1-2H3
InChIKeyHVLQCZHEDMLNSI-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminocyclohexyl)-5-chloro-4-methoxyphenol
CID 117392379
1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentan-1-amine
CID 84789200
1-(5-chloro-2,4-dimethylphenyl)cyclopentan-1-amine
CID 84789566
1-(5-chloro-2-ethyl-4-methoxyphenyl)cyclopentan-1-amine
CID 117388014
1-(4-chloro-5-fluoro-2-methylphenyl)cyclopentan-1-amine
CID 84791905
1-(5-chloro-2,4-dimethylphenyl)cyclohexan-1-amine
CID 84799014
2-(1-aminocyclopropyl)-5-chloro-4-methoxyphenol
CID 84783043
2-(1-aminocyclopentyl)-4-methoxy-5-methylphenol
CID 117316532
1-(2-methoxy-4-methylphenyl)cyclopentan-1-amine
CID 82396221
1-(2-bromo-5-methoxy-4-methylphenyl)cyclohexan-1-amine
CID 117480325
1-(4-chloro-3-methoxyphenyl)cyclohexan-1-amine
CID 79700571
1-(4,5-dimethoxy-2,3-dimethylphenyl)cyclohexan-1-amine
CID 117413644

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-5-methoxy-2-methylphenyl)cyclopentan-1-amine?
The IUPAC name of 1-(4-chloro-5-methoxy-2-methylphenyl)cyclopentan-1-amine (CID 84800208) is 1-(4-chloro-5-methoxy-2-methylphenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(4-chloro-5-methoxy-2-methylphenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(4-chloro-5-methoxy-2-methylphenyl)cyclopentan-1-amine is COc1cc(C2(N)CCCC2)c(C)cc1Cl.
What is the InChIKey of 1-(4-chloro-5-methoxy-2-methylphenyl)cyclopentan-1-amine?
The InChIKey is HVLQCZHEDMLNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-9-7-11(14)12(16-2)8-10(9)13(15)5-3-4-6-13/h7-8H,3-6,15H2,1-2H3.
What are the key properties of 1-(4-chloro-5-methoxy-2-methylphenyl)cyclopentan-1-amine?
1-(4-chloro-5-methoxy-2-methylphenyl)cyclopentan-1-amine has a molecular weight of 239.75 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-5-methoxy-2-methylphenyl)cyclopentan-1-amine is sourced from PubChem (CID 84800208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).