[1-(3,5-difluoro-4-methylphenyl)cyclohexyl]methanamine

C14H19F2N — CID 117351218

IUPAC[1-(3,5-difluoro-4-methylphenyl)cyclohexyl]methanamine
SMILESCc1c(F)cc(C2(CN)CCCCC2)cc1F
InChIInChI=1S/C14H19F2N/c1-10-12(15)7-11(8-13(10)16)14(9-17)5-3-2-4-6-14/h7-8H,2-6,9,17H2,1H3
InChIKeyPYPGXLDOGIDTAX-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.43
Rot. Bonds2

About [1-(3,5-difluoro-4-methylphenyl)cyclohexyl]methanamine

[1-(3,5-difluoro-4-methylphenyl)cyclohexyl]methanamine (PubChem CID 117351218) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is [1-(3,5-difluoro-4-methylphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3,5-difluoro-4-methylphenyl)cyclohexyl]methanamine
PubChem CID117351218
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name[1-(3,5-difluoro-4-methylphenyl)cyclohexyl]methanamine
SMILESCc1c(F)cc(C2(CN)CCCCC2)cc1F
InChIInChI=1S/C14H19F2N/c1-10-12(15)7-11(8-13(10)16)14(9-17)5-3-2-4-6-14/h7-8H,2-6,9,17H2,1H3
InChIKeyPYPGXLDOGIDTAX-UHFFFAOYSA-N
XLogP3.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.43
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-fluoro-4-(fluoromethyl)-5-methylphenyl]cyclopentyl]methanamine
CID 117351226
[1-(3-fluoro-5-methylphenyl)cyclopentyl]methanamine
CID 84779814
[1-(3-fluoro-4-methoxy-5-methylphenyl)cyclopentyl]methanamine
CID 117347260
4-[1-(aminomethyl)cyclohexyl]-2,6-difluorobenzoic acid
CID 117426291
[1-(3-fluoro-5-methoxy-4-methylphenyl)cyclopropyl]methanamine
CID 117298894
[1-[3,5-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117391287
4-[1-(aminomethyl)cyclopentyl]-2,6-difluorobenzoic acid
CID 117390771
[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclohexyl]methanamine
CID 117418082
[1-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]cyclobutyl]methanamine
CID 117359755
5-[1-(aminomethyl)cyclobutyl]-2,3-difluoroaniline
CID 117113164
5-[1-(aminomethyl)cyclopentyl]-2-bromo-3-fluorophenol
CID 84814384

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-difluoro-4-methylphenyl)cyclohexyl]methanamine?
The IUPAC name of [1-(3,5-difluoro-4-methylphenyl)cyclohexyl]methanamine (CID 117351218) is [1-(3,5-difluoro-4-methylphenyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(3,5-difluoro-4-methylphenyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(3,5-difluoro-4-methylphenyl)cyclohexyl]methanamine is Cc1c(F)cc(C2(CN)CCCCC2)cc1F.
What is the InChIKey of [1-(3,5-difluoro-4-methylphenyl)cyclohexyl]methanamine?
The InChIKey is PYPGXLDOGIDTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-10-12(15)7-11(8-13(10)16)14(9-17)5-3-2-4-6-14/h7-8H,2-6,9,17H2,1H3.
What are the key properties of [1-(3,5-difluoro-4-methylphenyl)cyclohexyl]methanamine?
[1-(3,5-difluoro-4-methylphenyl)cyclohexyl]methanamine has a molecular weight of 239.31 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-difluoro-4-methylphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 117351218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).