1-(4-fluoro-2-methylphenyl)-2,5-dimethylcyclohexan-1-amine

C15H22FN — CID 64760982

IUPAC1-(4-fluoro-2-methylphenyl)-2,5-dimethylcyclohexan-1-amine
SMILESCc1cc(F)ccc1C1(N)CC(C)CCC1C
InChIInChI=1S/C15H22FN/c1-10-4-5-12(3)15(17,9-10)14-7-6-13(16)8-11(14)2/h6-8,10,12H,4-5,9,17H2,1-3H3
InChIKeyRGHJXUOPOXHINV-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.74
Rot. Bonds1

About 1-(4-fluoro-2-methylphenyl)-2,5-dimethylcyclohexan-1-amine

1-(4-fluoro-2-methylphenyl)-2,5-dimethylcyclohexan-1-amine (PubChem CID 64760982) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-2,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-2,5-dimethylcyclohexan-1-amine
PubChem CID64760982
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name1-(4-fluoro-2-methylphenyl)-2,5-dimethylcyclohexan-1-amine
SMILESCc1cc(F)ccc1C1(N)CC(C)CCC1C
InChIInChI=1S/C15H22FN/c1-10-4-5-12(3)15(17,9-10)14-7-6-13(16)8-11(14)2/h6-8,10,12H,4-5,9,17H2,1-3H3
InChIKeyRGHJXUOPOXHINV-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)-2,4-dimethylcyclohexan-1-amine
CID 64776596
1-(2,5-dimethylphenyl)-2,5-dimethylcyclohexan-1-amine
CID 64774371
1-(3-fluoro-5-methylphenyl)-2,5-dimethylcyclohexan-1-amine
CID 79705071
1-(2,6-difluoro-3-methylphenyl)-2,5-dimethylcyclohexan-1-amine
CID 82820255
1-(2-methoxy-3,4-dimethylphenyl)-2,5-dimethylcyclohexan-1-amine
CID 103432810
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
1-(2-chlorophenyl)-2,5-dimethylcyclohexan-1-amine
CID 64761387
1-(2,4-difluorophenyl)-2-methylcyclohexan-1-amine
CID 62802200
1-(2,5-difluorophenyl)-3-methylcyclopentan-1-amine
CID 64515768
1-(3,5-difluorophenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 63407873
5-methyl-1-(2-methylphenyl)-2-propan-2-ylcyclohexan-1-amine
CID 60795200

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-2,5-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-2,5-dimethylcyclohexan-1-amine (CID 64760982) is 1-(4-fluoro-2-methylphenyl)-2,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-2,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-2,5-dimethylcyclohexan-1-amine is Cc1cc(F)ccc1C1(N)CC(C)CCC1C.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-2,5-dimethylcyclohexan-1-amine?
The InChIKey is RGHJXUOPOXHINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-10-4-5-12(3)15(17,9-10)14-7-6-13(16)8-11(14)2/h6-8,10,12H,4-5,9,17H2,1-3H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-2,5-dimethylcyclohexan-1-amine?
1-(4-fluoro-2-methylphenyl)-2,5-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)-2,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64760982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).