[1-(2,3-difluoro-4-methylphenyl)cyclohexyl]methanamine

C14H19F2N — CID 117351215

IUPAC[1-(2,3-difluoro-4-methylphenyl)cyclohexyl]methanamine
SMILESCc1ccc(C2(CN)CCCCC2)c(F)c1F
InChIInChI=1S/C14H19F2N/c1-10-5-6-11(13(16)12(10)15)14(9-17)7-3-2-4-8-14/h5-6H,2-4,7-9,17H2,1H3
InChIKeyLCTMSIAXPLYNPY-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.43
Rot. Bonds2

About [1-(2,3-difluoro-4-methylphenyl)cyclohexyl]methanamine

[1-(2,3-difluoro-4-methylphenyl)cyclohexyl]methanamine (PubChem CID 117351215) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is [1-(2,3-difluoro-4-methylphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2,3-difluoro-4-methylphenyl)cyclohexyl]methanamine
PubChem CID117351215
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name[1-(2,3-difluoro-4-methylphenyl)cyclohexyl]methanamine
SMILESCc1ccc(C2(CN)CCCCC2)c(F)c1F
InChIInChI=1S/C14H19F2N/c1-10-5-6-11(13(16)12(10)15)14(9-17)7-3-2-4-8-14/h5-6H,2-4,7-9,17H2,1H3
InChIKeyLCTMSIAXPLYNPY-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-(2-chloro-3-fluoro-4-methylphenyl)cyclopentyl]methanamine
CID 117356566
[1-(2-bromo-3-fluoro-4-methylphenyl)cyclopentyl]methanamine
CID 117461259
[1-(2,6-difluoro-3-methylphenyl)cyclopentyl]methanamine
CID 117323755
6-[1-(aminomethyl)cyclopropyl]-2-fluoro-3-methylphenol
CID 117285305
[1-(3-chloro-2,4-dimethylphenyl)cyclopentyl]methanamine
CID 84799020
[1-(2-fluoro-6-methoxy-3-methylphenyl)cyclohexyl]methanamine
CID 117382107
[1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclohexyl]methanamine
CID 117432370
[1-(2,3,4-trifluorophenyl)cyclopropyl]methanamine
CID 75366182
[1-(2,5-dimethylphenyl)cyclopentyl]methanamine
CID 82491829
[1-(3-bromo-2-fluorophenyl)cyclohexyl]methanamine
CID 117461246
[1-(3-chloro-2-fluoro-6-methylphenyl)cyclopentyl]methanamine
CID 84801366
[1-(3-bromo-2-fluoro-6-methylphenyl)cyclopentyl]methanamine
CID 84813724

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-difluoro-4-methylphenyl)cyclohexyl]methanamine?
The IUPAC name of [1-(2,3-difluoro-4-methylphenyl)cyclohexyl]methanamine (CID 117351215) is [1-(2,3-difluoro-4-methylphenyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(2,3-difluoro-4-methylphenyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(2,3-difluoro-4-methylphenyl)cyclohexyl]methanamine is Cc1ccc(C2(CN)CCCCC2)c(F)c1F.
What is the InChIKey of [1-(2,3-difluoro-4-methylphenyl)cyclohexyl]methanamine?
The InChIKey is LCTMSIAXPLYNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-10-5-6-11(13(16)12(10)15)14(9-17)7-3-2-4-8-14/h5-6H,2-4,7-9,17H2,1H3.
What are the key properties of [1-(2,3-difluoro-4-methylphenyl)cyclohexyl]methanamine?
[1-(2,3-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-(2,3-difluoro-4-methylphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 117351215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).