1-(2-chloro-6-fluoro-4-methoxyphenyl)cyclopentan-1-amine

C12H15ClFNO — CID 84802273

IUPAC1-(2-chloro-6-fluoro-4-methoxyphenyl)cyclopentan-1-amine
SMILESCOc1cc(F)c(C2(N)CCCC2)c(Cl)c1
InChIInChI=1S/C12H15ClFNO/c1-16-8-6-9(13)11(10(14)7-8)12(15)4-2-3-5-12/h6-7H,2-5,15H2,1H3
InChIKeyDMNLYEXLXGBGQC-UHFFFAOYSA-N
MW243.71 g/mol
LogP3.22
Rot. Bonds2

About 1-(2-chloro-6-fluoro-4-methoxyphenyl)cyclopentan-1-amine

1-(2-chloro-6-fluoro-4-methoxyphenyl)cyclopentan-1-amine (PubChem CID 84802273) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 1-(2-chloro-6-fluoro-4-methoxyphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluoro-4-methoxyphenyl)cyclopentan-1-amine
PubChem CID84802273
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name1-(2-chloro-6-fluoro-4-methoxyphenyl)cyclopentan-1-amine
SMILESCOc1cc(F)c(C2(N)CCCC2)c(Cl)c1
InChIInChI=1S/C12H15ClFNO/c1-16-8-6-9(13)11(10(14)7-8)12(15)4-2-3-5-12/h6-7H,2-5,15H2,1H3
InChIKeyDMNLYEXLXGBGQC-UHFFFAOYSA-N
XLogP3.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-4,6-dimethoxyphenyl)cyclopentan-1-amine
CID 84799753
1-(2-fluoro-4,6-dimethoxyphenyl)cyclohexan-1-amine
CID 117386080
1-(2-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine
CID 84784359
[1-(2,6-difluoro-4-methoxyphenyl)cyclohexyl]methanamine
CID 117391281
4-(1-aminocyclopropyl)-3-chloro-5-fluorophenol
CID 84776502
3-(1-aminocyclohexyl)-5-chloro-4-fluoro-2-methoxyphenol
CID 117437080
1-(2,6-difluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117393686
1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopentan-1-amine
CID 117386100
1-(2,4,6-trifluorophenyl)cyclopentan-1-amine;hydrochloride
CID 117046880
1-(3-chloro-5-methoxy-2-methylphenyl)cyclopropan-1-amine
CID 84782031
1-(3-chloro-2-methoxy-5,6-dimethylphenyl)cyclopentan-1-amine
CID 117388025
1-[(2,6-difluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117303787

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluoro-4-methoxyphenyl)cyclopentan-1-amine?
The IUPAC name of 1-(2-chloro-6-fluoro-4-methoxyphenyl)cyclopentan-1-amine (CID 84802273) is 1-(2-chloro-6-fluoro-4-methoxyphenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(2-chloro-6-fluoro-4-methoxyphenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(2-chloro-6-fluoro-4-methoxyphenyl)cyclopentan-1-amine is COc1cc(F)c(C2(N)CCCC2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-6-fluoro-4-methoxyphenyl)cyclopentan-1-amine?
The InChIKey is DMNLYEXLXGBGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-16-8-6-9(13)11(10(14)7-8)12(15)4-2-3-5-12/h6-7H,2-5,15H2,1H3.
What are the key properties of 1-(2-chloro-6-fluoro-4-methoxyphenyl)cyclopentan-1-amine?
1-(2-chloro-6-fluoro-4-methoxyphenyl)cyclopentan-1-amine has a molecular weight of 243.71 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluoro-4-methoxyphenyl)cyclopentan-1-amine is sourced from PubChem (CID 84802273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).