2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexan-1-amine

C15H22FN — CID 106882846

IUPAC2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexan-1-amine
SMILESCc1cc(C)c(C2CC(C)CCC2N)c(F)c1
InChIInChI=1S/C15H22FN/c1-9-4-5-14(17)12(7-9)15-11(3)6-10(2)8-13(15)16/h6,8-9,12,14H,4-5,7,17H2,1-3H3
InChIKeyDPEWKAFHKOVNGC-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.67
Rot. Bonds1

About 2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexan-1-amine

2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexan-1-amine (PubChem CID 106882846) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexan-1-amine
PubChem CID106882846
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexan-1-amine
SMILESCc1cc(C)c(C2CC(C)CCC2N)c(F)c1
InChIInChI=1S/C15H22FN/c1-9-4-5-14(17)12(7-9)15-11(3)6-10(2)8-13(15)16/h6,8-9,12,14H,4-5,7,17H2,1-3H3
InChIKeyDPEWKAFHKOVNGC-UHFFFAOYSA-N
XLogP3.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexyl]methanamine
CID 106882856
N-[[2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexyl]methyl]ethanamine
CID 106882904
2-(2-fluoro-4,6-dimethylphenyl)cyclobutane-1-carboxylic acid
CID 106882833
2-cyclopropyl-1-fluoro-3,5-dimethylbenzene
CID 165138654
[2-(2-fluoro-4,6-dimethylphenyl)-4,4-dimethylcyclohexyl]methanamine
CID 106882861
4-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 102756356
6-(2-fluoro-4,6-dimethylphenyl)bicyclo[3.1.0]hexane
CID 142950141
2-(3-fluoro-4-pyridinyl)-4-methylcyclohexan-1-amine
CID 104739397
2-(2,5-dichlorophenyl)-4-methylcyclohexan-1-amine
CID 81013313
N-[[2-(2-fluoro-4,6-dimethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 106882895
2-(2,6-difluoro-3-methylphenyl)cyclobutan-1-amine
CID 82827536
bis(1,4-dimethylcyclohexane);1,2,3,5-tetramethylbenzene
CID 158011653

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexan-1-amine?
The IUPAC name of 2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexan-1-amine (CID 106882846) is 2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexan-1-amine is Cc1cc(C)c(C2CC(C)CCC2N)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexan-1-amine?
The InChIKey is DPEWKAFHKOVNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-9-4-5-14(17)12(7-9)15-11(3)6-10(2)8-13(15)16/h6,8-9,12,14H,4-5,7,17H2,1-3H3.
What are the key properties of 2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexan-1-amine?
2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 3.67, 1 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-methylcyclohexan-1-amine is sourced from PubChem (CID 106882846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).