1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)cyclopentan-1-amine

C13H17ClFNO2 — CID 117437091

IUPAC1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)cyclopentan-1-amine
SMILESCOc1cc(C2(N)CCCC2)c(F)c(Cl)c1OC
InChIInChI=1S/C13H17ClFNO2/c1-17-9-7-8(13(16)5-3-4-6-13)11(15)10(14)12(9)18-2/h7H,3-6,16H2,1-2H3
InChIKeyYYTCCZKGFJWLBP-UHFFFAOYSA-N
MW273.73 g/mol
LogP3.22
Rot. Bonds3

About 1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)cyclopentan-1-amine

1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)cyclopentan-1-amine (PubChem CID 117437091) has the molecular formula C13H17ClFNO2 and a molecular weight of 273.73 g/mol. Its IUPAC name is 1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)cyclopentan-1-amine
PubChem CID117437091
Molecular FormulaC13H17ClFNO2
Molecular Weight273.73 g/mol
Exact Mass273.09
IUPAC Name1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)cyclopentan-1-amine
SMILESCOc1cc(C2(N)CCCC2)c(F)c(Cl)c1OC
InChIInChI=1S/C13H17ClFNO2/c1-17-9-7-8(13(16)5-3-4-6-13)11(15)10(14)12(9)18-2/h7H,3-6,16H2,1-2H3
InChIKeyYYTCCZKGFJWLBP-UHFFFAOYSA-N
XLogP3.22
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-3,4-difluoro-2-methoxyphenyl)cyclohexan-1-amine
CID 117441374
1-(4,5-dimethoxy-2,3-dimethylphenyl)cyclohexan-1-amine
CID 117413644
1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)cyclobutan-1-amine
CID 117403471
1-(2-chloro-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine
CID 117427606
1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentan-1-amine
CID 84789200
1-(4-chloro-5-methoxy-2-methylphenyl)cyclopentan-1-amine
CID 84800208
3-(1-aminocyclohexyl)-2-fluoro-6-methoxy-5-methylphenol
CID 117386077
1-(4-bromo-2-fluoro-3-methoxy-5-methylphenyl)cyclopentan-1-amine
CID 117486628
1-(4-fluoro-3,5-dimethoxyphenyl)cyclopentan-1-amine
CID 84799752
1-(4-fluoro-2-methoxyphenyl)cyclopentan-1-amine
CID 82612097
1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)cyclopropan-1-amine
CID 84802916
1-(2,3,5-trimethoxyphenyl)cyclobutan-1-amine
CID 117346828

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)cyclopentan-1-amine?
The IUPAC name of 1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)cyclopentan-1-amine (CID 117437091) is 1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)cyclopentan-1-amine is COc1cc(C2(N)CCCC2)c(F)c(Cl)c1OC.
What is the InChIKey of 1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)cyclopentan-1-amine?
The InChIKey is YYTCCZKGFJWLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO2/c1-17-9-7-8(13(16)5-3-4-6-13)11(15)10(14)12(9)18-2/h7H,3-6,16H2,1-2H3.
What are the key properties of 1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)cyclopentan-1-amine?
1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)cyclopentan-1-amine has a molecular weight of 273.73 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)cyclopentan-1-amine is sourced from PubChem (CID 117437091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).