[1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]cyclopentyl]methanamine

C14H19F2N — CID 117351226

IUPAC[1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]cyclopentyl]methanamine
SMILESCc1cc(C2(CN)CCCC2)cc(F)c1CF
InChIInChI=1S/C14H19F2N/c1-10-6-11(7-13(16)12(10)8-15)14(9-17)4-2-3-5-14/h6-7H,2-5,8-9,17H2,1H3
InChIKeyGFHWEIRRJGGDFN-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.37
Rot. Bonds3

About [1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]cyclopentyl]methanamine

[1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]cyclopentyl]methanamine (PubChem CID 117351226) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is [1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]cyclopentyl]methanamine
PubChem CID117351226
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name[1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]cyclopentyl]methanamine
SMILESCc1cc(C2(CN)CCCC2)cc(F)c1CF
InChIInChI=1S/C14H19F2N/c1-10-6-11(7-13(16)12(10)8-15)14(9-17)4-2-3-5-14/h6-7H,2-5,8-9,17H2,1H3
InChIKeyGFHWEIRRJGGDFN-UHFFFAOYSA-N
XLogP3.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(3-fluoro-4,5-dimethylphenyl)cyclopentyl]methanamine
CID 84788177
[1-(3,5-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351218
[1-(3-fluoro-4-methoxy-5-methylphenyl)cyclopentyl]methanamine
CID 117347260
[1-[3,5-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117391287
[1-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]cyclobutyl]methanamine
CID 117359755
[1-(3-fluoro-5-methylphenyl)cyclopentyl]methanamine
CID 84779814
[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclohexyl]methanamine
CID 117418082
[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutyl]methanamine
CID 117347270
[1-(3,4-dimethylphenyl)cyclohexyl]methanamine
CID 62899225
4-[1-(aminomethyl)cyclopentyl]-2,6-difluorobenzoic acid
CID 117390771
5-[1-(aminomethyl)cyclobutyl]-2,3-difluoroaniline
CID 117113164
4-[1-(aminomethyl)cyclohexyl]-2,6-difluorobenzoic acid
CID 117426291

Frequently Asked Questions

What is the IUPAC name of [1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]cyclopentyl]methanamine?
The IUPAC name of [1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]cyclopentyl]methanamine (CID 117351226) is [1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]cyclopentyl]methanamine?
The canonical SMILES for [1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]cyclopentyl]methanamine is Cc1cc(C2(CN)CCCC2)cc(F)c1CF.
What is the InChIKey of [1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]cyclopentyl]methanamine?
The InChIKey is GFHWEIRRJGGDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-10-6-11(7-13(16)12(10)8-15)14(9-17)4-2-3-5-14/h6-7H,2-5,8-9,17H2,1H3.
What are the key properties of [1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]cyclopentyl]methanamine?
[1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]cyclopentyl]methanamine has a molecular weight of 239.31 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]cyclopentyl]methanamine is sourced from PubChem (CID 117351226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).