1-(3-chloro-4-methoxy-5-methylsulfanylphenyl)cyclopentan-1-amine

C13H18ClNOS — CID 117432494

IUPAC1-(3-chloro-4-methoxy-5-methylsulfanylphenyl)cyclopentan-1-amine
SMILESCOc1c(Cl)cc(C2(N)CCCC2)cc1SC
InChIInChI=1S/C13H18ClNOS/c1-16-12-10(14)7-9(8-11(12)17-2)13(15)5-3-4-6-13/h7-8H,3-6,15H2,1-2H3
InChIKeyQPSLLNYRHZSWFG-UHFFFAOYSA-N
MW271.81 g/mol
LogP3.80
Rot. Bonds3

About 1-(3-chloro-4-methoxy-5-methylsulfanylphenyl)cyclopentan-1-amine

1-(3-chloro-4-methoxy-5-methylsulfanylphenyl)cyclopentan-1-amine (PubChem CID 117432494) has the molecular formula C13H18ClNOS and a molecular weight of 271.81 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxy-5-methylsulfanylphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-methoxy-5-methylsulfanylphenyl)cyclopentan-1-amine
PubChem CID117432494
Molecular FormulaC13H18ClNOS
Molecular Weight271.81 g/mol
Exact Mass271.08
IUPAC Name1-(3-chloro-4-methoxy-5-methylsulfanylphenyl)cyclopentan-1-amine
SMILESCOc1c(Cl)cc(C2(N)CCCC2)cc1SC
InChIInChI=1S/C13H18ClNOS/c1-16-12-10(14)7-9(8-11(12)17-2)13(15)5-3-4-6-13/h7-8H,3-6,15H2,1-2H3
InChIKeyQPSLLNYRHZSWFG-UHFFFAOYSA-N
XLogP3.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3,4,5-tris(methylsulfanyl)phenyl]cyclopentan-1-amine
CID 117482555
1-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]cyclopentan-1-amine
CID 117476556
1-(3-chloro-5-methoxy-4-methylphenyl)cyclohexan-1-amine
CID 117387617
1-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexan-1-amine
CID 117494486
1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentan-1-amine
CID 117382290
1-(4-methoxy-2-methylsulfanylphenyl)cyclopentan-1-amine
CID 84798785
1-(3-chloro-2-methoxy-5,6-dimethylphenyl)cyclopentan-1-amine
CID 117388025
1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclohexan-1-amine
CID 117423312
1-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentan-1-amine
CID 117448992
1-(4-fluoro-3,5-dimethoxyphenyl)cyclopentan-1-amine
CID 84799752
1-(3-chloro-4-fluoro-5-methylphenyl)cyclohexan-1-amine
CID 117356600
1-(5-chloro-3,4-difluoro-2-methoxyphenyl)cyclohexan-1-amine
CID 117441374

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxy-5-methylsulfanylphenyl)cyclopentan-1-amine?
The IUPAC name of 1-(3-chloro-4-methoxy-5-methylsulfanylphenyl)cyclopentan-1-amine (CID 117432494) is 1-(3-chloro-4-methoxy-5-methylsulfanylphenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-methoxy-5-methylsulfanylphenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(3-chloro-4-methoxy-5-methylsulfanylphenyl)cyclopentan-1-amine is COc1c(Cl)cc(C2(N)CCCC2)cc1SC.
What is the InChIKey of 1-(3-chloro-4-methoxy-5-methylsulfanylphenyl)cyclopentan-1-amine?
The InChIKey is QPSLLNYRHZSWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNOS/c1-16-12-10(14)7-9(8-11(12)17-2)13(15)5-3-4-6-13/h7-8H,3-6,15H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methoxy-5-methylsulfanylphenyl)cyclopentan-1-amine?
1-(3-chloro-4-methoxy-5-methylsulfanylphenyl)cyclopentan-1-amine has a molecular weight of 271.81 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxy-5-methylsulfanylphenyl)cyclopentan-1-amine is sourced from PubChem (CID 117432494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).