[1-(3-chloro-6-fluoro-2-methoxyphenyl)cyclopentyl]methanamine

C13H17ClFNO — CID 117397976

IUPAC[1-(3-chloro-6-fluoro-2-methoxyphenyl)cyclopentyl]methanamine
SMILESCOc1c(Cl)ccc(F)c1C1(CN)CCCC1
InChIInChI=1S/C13H17ClFNO/c1-17-12-9(14)4-5-10(15)11(12)13(8-16)6-2-3-7-13/h4-5H,2-3,6-8,16H2,1H3
InChIKeyHRMFYCSELXTTEC-UHFFFAOYSA-N
MW257.74 g/mol
LogP3.26
Rot. Bonds3

About [1-(3-chloro-6-fluoro-2-methoxyphenyl)cyclopentyl]methanamine

[1-(3-chloro-6-fluoro-2-methoxyphenyl)cyclopentyl]methanamine (PubChem CID 117397976) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is [1-(3-chloro-6-fluoro-2-methoxyphenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(3-chloro-6-fluoro-2-methoxyphenyl)cyclopentyl]methanamine
PubChem CID117397976
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name[1-(3-chloro-6-fluoro-2-methoxyphenyl)cyclopentyl]methanamine
SMILESCOc1c(Cl)ccc(F)c1C1(CN)CCCC1
InChIInChI=1S/C13H17ClFNO/c1-17-12-9(14)4-5-10(15)11(12)13(8-16)6-2-3-7-13/h4-5H,2-3,6-8,16H2,1H3
InChIKeyHRMFYCSELXTTEC-UHFFFAOYSA-N
XLogP3.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-chloro-2,6-dimethoxyphenyl)cyclopentyl]methanamine
CID 117427815
[1-(3-fluoro-2-methoxy-6-methylphenyl)cyclopentyl]methanamine
CID 117347431
[1-(4-chloro-2,3-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456510
[1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)cyclohexyl]methanamine
CID 117460449
[1-(3-chloro-2-methoxyphenyl)cyclohexyl]methanamine
CID 117387762
[1-(3-chloro-2-methoxyphenyl)cyclobutyl]methanamine
CID 131255085
[1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopentyl]methanamine
CID 117456529
[1-(3-chloro-2-fluoro-6-methylphenyl)cyclopentyl]methanamine
CID 84801366
[1-(2,6-difluorophenyl)cyclopentyl]methanamine
CID 47002854
[1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine
CID 117417809
[1-(2,6-difluoro-3-methylphenyl)cyclopentyl]methanamine
CID 117323755
[1-(2,3-difluoro-6-methoxyphenyl)cyclobutyl]methanamine
CID 117326701

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-6-fluoro-2-methoxyphenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(3-chloro-6-fluoro-2-methoxyphenyl)cyclopentyl]methanamine (CID 117397976) is [1-(3-chloro-6-fluoro-2-methoxyphenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(3-chloro-6-fluoro-2-methoxyphenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(3-chloro-6-fluoro-2-methoxyphenyl)cyclopentyl]methanamine is COc1c(Cl)ccc(F)c1C1(CN)CCCC1.
What is the InChIKey of [1-(3-chloro-6-fluoro-2-methoxyphenyl)cyclopentyl]methanamine?
The InChIKey is HRMFYCSELXTTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c1-17-12-9(14)4-5-10(15)11(12)13(8-16)6-2-3-7-13/h4-5H,2-3,6-8,16H2,1H3.
What are the key properties of [1-(3-chloro-6-fluoro-2-methoxyphenyl)cyclopentyl]methanamine?
[1-(3-chloro-6-fluoro-2-methoxyphenyl)cyclopentyl]methanamine has a molecular weight of 257.74 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-6-fluoro-2-methoxyphenyl)cyclopentyl]methanamine is sourced from PubChem (CID 117397976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).