1-(4-fluoro-2-methylphenyl)-2,4-dimethylcyclohexan-1-amine

C15H22FN — CID 64776596

IUPAC1-(4-fluoro-2-methylphenyl)-2,4-dimethylcyclohexan-1-amine
SMILESCc1cc(F)ccc1C1(N)CCC(C)CC1C
InChIInChI=1S/C15H22FN/c1-10-6-7-15(17,12(3)8-10)14-5-4-13(16)9-11(14)2/h4-5,9-10,12H,6-8,17H2,1-3H3
InChIKeyOCVMJVGOLBBVHH-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.74
Rot. Bonds1

About 1-(4-fluoro-2-methylphenyl)-2,4-dimethylcyclohexan-1-amine

1-(4-fluoro-2-methylphenyl)-2,4-dimethylcyclohexan-1-amine (PubChem CID 64776596) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-2,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-2,4-dimethylcyclohexan-1-amine
PubChem CID64776596
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name1-(4-fluoro-2-methylphenyl)-2,4-dimethylcyclohexan-1-amine
SMILESCc1cc(F)ccc1C1(N)CCC(C)CC1C
InChIInChI=1S/C15H22FN/c1-10-6-7-15(17,12(3)8-10)14-5-4-13(16)9-11(14)2/h4-5,9-10,12H,6-8,17H2,1-3H3
InChIKeyOCVMJVGOLBBVHH-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-2-methylphenyl)-2,5-dimethylcyclohexan-1-amine
CID 64760982
1-(5-fluoro-2-methylphenyl)-2,4-dimethylcyclohexan-1-ol
CID 64755411
1-(2,4-difluorophenyl)-2-methylcyclohexan-1-amine
CID 62802200
1-(5-fluoro-2-methylphenyl)-3-methylcyclopentan-1-amine
CID 64515524
8-(4-fluoro-2-methylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 62787485
2,4-dimethyl-1-phenylcyclohexan-1-amine
CID 64776190
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,4-dimethylcyclohexan-1-amine
CID 107288032
1-[2-(2-methoxyethoxy)phenyl]-2,4-dimethylcyclohexan-1-amine
CID 104659074
[1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentyl]methanamine
CID 114349747
1-[1-(4-fluoro-2-methylphenyl)cyclopropyl]ethanamine
CID 117283964
1-(2-chloro-5-fluorophenyl)-4-methylcyclohexan-1-amine
CID 105394080
1-(2,5-difluorophenyl)-3-methylcyclopentan-1-amine
CID 64515768

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-2,4-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-2,4-dimethylcyclohexan-1-amine (CID 64776596) is 1-(4-fluoro-2-methylphenyl)-2,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-2,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-2,4-dimethylcyclohexan-1-amine is Cc1cc(F)ccc1C1(N)CCC(C)CC1C.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-2,4-dimethylcyclohexan-1-amine?
The InChIKey is OCVMJVGOLBBVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-10-6-7-15(17,12(3)8-10)14-5-4-13(16)9-11(14)2/h4-5,9-10,12H,6-8,17H2,1-3H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-2,4-dimethylcyclohexan-1-amine?
1-(4-fluoro-2-methylphenyl)-2,4-dimethylcyclohexan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-2,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64776596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).