[2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexyl]methanamine

C16H24FN — CID 106882856

IUPAC[2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexyl]methanamine
SMILESCc1cc(C)c(C2CC(C)CCC2CN)c(F)c1
InChIInChI=1S/C16H24FN/c1-10-4-5-13(9-18)14(7-10)16-12(3)6-11(2)8-15(16)17/h6,8,10,13-14H,4-5,7,9,18H2,1-3H3
InChIKeyLVEAVGPCOOMINH-UHFFFAOYSA-N
MW249.37 g/mol
LogP3.92
Rot. Bonds2

About [2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexyl]methanamine

[2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexyl]methanamine (PubChem CID 106882856) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is [2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexyl]methanamine
PubChem CID106882856
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name[2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexyl]methanamine
SMILESCc1cc(C)c(C2CC(C)CCC2CN)c(F)c1
InChIInChI=1S/C16H24FN/c1-10-4-5-13(9-18)14(7-10)16-12(3)6-11(2)8-15(16)17/h6,8,10,13-14H,4-5,7,9,18H2,1-3H3
InChIKeyLVEAVGPCOOMINH-UHFFFAOYSA-N
XLogP3.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexan-1-amine
CID 106882846
N-[[2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexyl]methyl]ethanamine
CID 106882904
[2-(2-fluoro-4,6-dimethylphenyl)-4,4-dimethylcyclohexyl]methanamine
CID 106882861
[2-(2,5-difluorophenyl)-4-methylcyclohexyl]methanamine
CID 81010421
[2-(4-chloro-2-fluorophenyl)-4-methylcyclohexyl]methanamine
CID 81010425
2-(2-fluoro-4,6-dimethylphenyl)cyclobutane-1-carboxylic acid
CID 106882833
2-cyclopropyl-1-fluoro-3,5-dimethylbenzene
CID 165138654
[4-methyl-2-(5-methylthiophen-3-yl)cyclohexyl]methanamine
CID 81010311
[2-(2,6-difluoro-3-methylphenyl)-4-propylcyclohexyl]methanamine
CID 82828508
[2-(4-fluoro-3-methylphenyl)-4-propan-2-ylcyclohexyl]methanamine
CID 81011357
6-(2-fluoro-4,6-dimethylphenyl)bicyclo[3.1.0]hexane
CID 142950141
N-[[2-(2-fluoro-4,6-dimethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 106882895

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexyl]methanamine?
The IUPAC name of [2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexyl]methanamine (CID 106882856) is [2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexyl]methanamine?
The canonical SMILES for [2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexyl]methanamine is Cc1cc(C)c(C2CC(C)CCC2CN)c(F)c1.
What is the InChIKey of [2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexyl]methanamine?
The InChIKey is LVEAVGPCOOMINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-10-4-5-13(9-18)14(7-10)16-12(3)6-11(2)8-15(16)17/h6,8,10,13-14H,4-5,7,9,18H2,1-3H3.
What are the key properties of [2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexyl]methanamine?
[2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexyl]methanamine has a molecular weight of 249.37 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 106882856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).