[1-(3-fluoro-4,5-dimethylphenyl)cyclopentyl]methanamine

C14H20FN — CID 84788177

IUPAC[1-(3-fluoro-4,5-dimethylphenyl)cyclopentyl]methanamine
SMILESCc1cc(C2(CN)CCCC2)cc(F)c1C
InChIInChI=1S/C14H20FN/c1-10-7-12(8-13(15)11(10)2)14(9-16)5-3-4-6-14/h7-8H,3-6,9,16H2,1-2H3
InChIKeyWACKANWBTFZQBC-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.21
Rot. Bonds2

About [1-(3-fluoro-4,5-dimethylphenyl)cyclopentyl]methanamine

[1-(3-fluoro-4,5-dimethylphenyl)cyclopentyl]methanamine (PubChem CID 84788177) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is [1-(3-fluoro-4,5-dimethylphenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(3-fluoro-4,5-dimethylphenyl)cyclopentyl]methanamine
PubChem CID84788177
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name[1-(3-fluoro-4,5-dimethylphenyl)cyclopentyl]methanamine
SMILESCc1cc(C2(CN)CCCC2)cc(F)c1C
InChIInChI=1S/C14H20FN/c1-10-7-12(8-13(15)11(10)2)14(9-16)5-3-4-6-14/h7-8H,3-6,9,16H2,1-2H3
InChIKeyWACKANWBTFZQBC-UHFFFAOYSA-N
XLogP3.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(3,5-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351218
[1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]cyclopentyl]methanamine
CID 117351226
[1-(3-fluoro-4-methoxy-5-methylphenyl)cyclopentyl]methanamine
CID 117347260
[1-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]cyclobutyl]methanamine
CID 117359755
[1-(3-fluoro-5-methylphenyl)cyclopentyl]methanamine
CID 84779814
[1-(3-methoxy-4,5-dimethylphenyl)cyclobutyl]methanamine
CID 117312997
[1-(3-fluoro-5-methoxy-4-methylphenyl)cyclopropyl]methanamine
CID 117298894
[1-[3,5-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117391287
[1-(3,4-dimethylphenyl)cyclohexyl]methanamine
CID 62899225
4-[1-(aminomethyl)cyclopentyl]-2,6-difluorobenzoic acid
CID 117390771
[1-(2-bromo-3-fluoro-5,6-dimethylphenyl)cyclohexyl]methanamine
CID 117499969
5-[1-(aminomethyl)cyclobutyl]-2,3-difluoroaniline
CID 117113164

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluoro-4,5-dimethylphenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(3-fluoro-4,5-dimethylphenyl)cyclopentyl]methanamine (CID 84788177) is [1-(3-fluoro-4,5-dimethylphenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(3-fluoro-4,5-dimethylphenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(3-fluoro-4,5-dimethylphenyl)cyclopentyl]methanamine is Cc1cc(C2(CN)CCCC2)cc(F)c1C.
What is the InChIKey of [1-(3-fluoro-4,5-dimethylphenyl)cyclopentyl]methanamine?
The InChIKey is WACKANWBTFZQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-10-7-12(8-13(15)11(10)2)14(9-16)5-3-4-6-14/h7-8H,3-6,9,16H2,1-2H3.
What are the key properties of [1-(3-fluoro-4,5-dimethylphenyl)cyclopentyl]methanamine?
[1-(3-fluoro-4,5-dimethylphenyl)cyclopentyl]methanamine has a molecular weight of 221.32 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluoro-4,5-dimethylphenyl)cyclopentyl]methanamine is sourced from PubChem (CID 84788177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).