[1-(5-chloro-4-fluoro-2-methylphenyl)cyclopentyl]methanamine

C13H17ClFN — CID 117356576

IUPAC[1-(5-chloro-4-fluoro-2-methylphenyl)cyclopentyl]methanamine
SMILESCc1cc(F)c(Cl)cc1C1(CN)CCCC1
InChIInChI=1S/C13H17ClFN/c1-9-6-12(15)11(14)7-10(9)13(8-16)4-2-3-5-13/h6-7H,2-5,8,16H2,1H3
InChIKeyFJHHUINGJGETEE-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.56
Rot. Bonds2

About [1-(5-chloro-4-fluoro-2-methylphenyl)cyclopentyl]methanamine

[1-(5-chloro-4-fluoro-2-methylphenyl)cyclopentyl]methanamine (PubChem CID 117356576) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is [1-(5-chloro-4-fluoro-2-methylphenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(5-chloro-4-fluoro-2-methylphenyl)cyclopentyl]methanamine
PubChem CID117356576
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name[1-(5-chloro-4-fluoro-2-methylphenyl)cyclopentyl]methanamine
SMILESCc1cc(F)c(Cl)cc1C1(CN)CCCC1
InChIInChI=1S/C13H17ClFN/c1-9-6-12(15)11(14)7-10(9)13(8-16)4-2-3-5-13/h6-7H,2-5,8,16H2,1H3
InChIKeyFJHHUINGJGETEE-UHFFFAOYSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclohexyl]methanamine
CID 117432368
[1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentyl]methanamine
CID 84798723
1-(5-chloro-4-fluoro-2-methylphenyl)cyclopropan-1-ol
CID 117289605
4-[1-(aminomethyl)cyclohexyl]-2-chloro-5-fluorophenol
CID 117397912
[1-(2-chloro-3-fluoro-4-methylphenyl)cyclopentyl]methanamine
CID 117356566
[1-(2-fluoro-4,5-dimethylphenyl)cyclopropyl]methanamine
CID 84772874
[1-(4-bromo-2,5-dimethylphenyl)cyclopentyl]methanamine
CID 84812408
1-(4-chloro-5-fluoro-2-methylphenyl)cyclopentan-1-amine
CID 84791905
[1-(2-fluoro-5-methoxy-4-methylphenyl)cyclohexyl]methanamine
CID 117382086
[1-(5-chloro-3,4-difluoro-2-methoxyphenyl)cyclopentyl]methanamine
CID 117441379
[1-(5-fluoro-2-methoxy-4-methylphenyl)cyclohexyl]methanamine
CID 117382102
[1-(5-chloro-3-fluoro-2,4-dimethylphenyl)cyclopropyl]methanamine
CID 84791909

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-4-fluoro-2-methylphenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(5-chloro-4-fluoro-2-methylphenyl)cyclopentyl]methanamine (CID 117356576) is [1-(5-chloro-4-fluoro-2-methylphenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(5-chloro-4-fluoro-2-methylphenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(5-chloro-4-fluoro-2-methylphenyl)cyclopentyl]methanamine is Cc1cc(F)c(Cl)cc1C1(CN)CCCC1.
What is the InChIKey of [1-(5-chloro-4-fluoro-2-methylphenyl)cyclopentyl]methanamine?
The InChIKey is FJHHUINGJGETEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c1-9-6-12(15)11(14)7-10(9)13(8-16)4-2-3-5-13/h6-7H,2-5,8,16H2,1H3.
What are the key properties of [1-(5-chloro-4-fluoro-2-methylphenyl)cyclopentyl]methanamine?
[1-(5-chloro-4-fluoro-2-methylphenyl)cyclopentyl]methanamine has a molecular weight of 241.74 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-4-fluoro-2-methylphenyl)cyclopentyl]methanamine is sourced from PubChem (CID 117356576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).