1-(2-fluoro-4,6-dimethylphenyl)-3-methylcyclohexan-1-amine

C15H22FN — CID 106880613

IUPAC1-(2-fluoro-4,6-dimethylphenyl)-3-methylcyclohexan-1-amine
SMILESCc1cc(C)c(C2(N)CCCC(C)C2)c(F)c1
InChIInChI=1S/C15H22FN/c1-10-5-4-6-15(17,9-10)14-12(3)7-11(2)8-13(14)16/h7-8,10H,4-6,9,17H2,1-3H3
InChIKeyZPZHZWFWNVUHRV-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.81
Rot. Bonds1

About 1-(2-fluoro-4,6-dimethylphenyl)-3-methylcyclohexan-1-amine

1-(2-fluoro-4,6-dimethylphenyl)-3-methylcyclohexan-1-amine (PubChem CID 106880613) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-(2-fluoro-4,6-dimethylphenyl)-3-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-4,6-dimethylphenyl)-3-methylcyclohexan-1-amine
PubChem CID106880613
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name1-(2-fluoro-4,6-dimethylphenyl)-3-methylcyclohexan-1-amine
SMILESCc1cc(C)c(C2(N)CCCC(C)C2)c(F)c1
InChIInChI=1S/C15H22FN/c1-10-5-4-6-15(17,9-10)14-12(3)7-11(2)8-13(14)16/h7-8,10H,4-6,9,17H2,1-3H3
InChIKeyZPZHZWFWNVUHRV-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluoro-4,6-dimethylphenyl)cyclopropan-1-amine
CID 84767931
1-(3-fluoro-4-methylphenyl)-3-methylcyclohexan-1-amine
CID 107128227
1-(2-fluoro-4,6-dimethylphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 106880612
1-(2,3-difluorophenyl)-3-methylcyclohexan-1-amine
CID 63989623
1-(2-methoxy-4,6-dimethylphenyl)-4-methylcycloheptan-1-amine
CID 106679866
1-(2-fluoro-4,6-dimethylphenyl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429597
[1-(dimethylamino)-3-methylcyclohexyl]-(2-fluoro-4,6-dimethylphenyl)methanol
CID 106881112
8-(2-fluoro-4,6-dimethylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 106880624
3-(2-fluoro-4,6-dimethylphenyl)-2-methyloxolan-3-ol
CID 106880528
3-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)cyclohexan-1-amine
CID 82819865
1-(2-fluoro-4,6-dimethylphenyl)-2,4,4-trimethylcyclohexan-1-ol
CID 106880494
trans-(1S,3R)-3-methyl-1-phenylcyclohexan-1-amine;hydrochloride
CID 45259850

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-3-methylcyclohexan-1-amine?
The IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-3-methylcyclohexan-1-amine (CID 106880613) is 1-(2-fluoro-4,6-dimethylphenyl)-3-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(2-fluoro-4,6-dimethylphenyl)-3-methylcyclohexan-1-amine?
The canonical SMILES for 1-(2-fluoro-4,6-dimethylphenyl)-3-methylcyclohexan-1-amine is Cc1cc(C)c(C2(N)CCCC(C)C2)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4,6-dimethylphenyl)-3-methylcyclohexan-1-amine?
The InChIKey is ZPZHZWFWNVUHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-10-5-4-6-15(17,9-10)14-12(3)7-11(2)8-13(14)16/h7-8,10H,4-6,9,17H2,1-3H3.
What are the key properties of 1-(2-fluoro-4,6-dimethylphenyl)-3-methylcyclohexan-1-amine?
1-(2-fluoro-4,6-dimethylphenyl)-3-methylcyclohexan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4,6-dimethylphenyl)-3-methylcyclohexan-1-amine is sourced from PubChem (CID 106880613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).