1-(3-fluoro-5-methylphenyl)-2,2-dimethylcyclohexan-1-amine

C15H22FN — CID 79836961

IUPAC1-(3-fluoro-5-methylphenyl)-2,2-dimethylcyclohexan-1-amine
SMILESCc1cc(F)cc(C2(N)CCCCC2(C)C)c1
InChIInChI=1S/C15H22FN/c1-11-8-12(10-13(16)9-11)15(17)7-5-4-6-14(15,2)3/h8-10H,4-7,17H2,1-3H3
InChIKeyFKNSQVNTNJKCMD-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.89
Rot. Bonds1

About 1-(3-fluoro-5-methylphenyl)-2,2-dimethylcyclohexan-1-amine

1-(3-fluoro-5-methylphenyl)-2,2-dimethylcyclohexan-1-amine (PubChem CID 79836961) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylphenyl)-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-5-methylphenyl)-2,2-dimethylcyclohexan-1-amine
PubChem CID79836961
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name1-(3-fluoro-5-methylphenyl)-2,2-dimethylcyclohexan-1-amine
SMILESCc1cc(F)cc(C2(N)CCCCC2(C)C)c1
InChIInChI=1S/C15H22FN/c1-11-8-12(10-13(16)9-11)15(17)7-5-4-6-14(15,2)3/h8-10H,4-7,17H2,1-3H3
InChIKeyFKNSQVNTNJKCMD-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-1-(5-methyl-3-pyridinyl)cyclopentan-1-amine
CID 115373875
[1-(3-fluoro-5-methylphenyl)cyclopentyl]methanamine
CID 84779814
1-(3-fluoro-5-methylphenyl)-3,3-dimethylcyclopentan-1-amine
CID 80693292
2-(3-fluoro-5-methylphenyl)-2-methylazepane
CID 79704728
2,2-dimethyl-1-(5-methylthiophen-3-yl)cyclopentan-1-amine
CID 79857921
2-cyclohexyl-1-(3-fluoro-5-methylphenyl)cyclohexan-1-amine
CID 79696981
2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 79834999
2-(1-aminocyclopentyl)-1-(3-fluoro-5-methylphenyl)ethanone
CID 116578661
1-(3-fluoro-5-methylphenyl)-3,5-dimethylcyclohexan-1-amine
CID 79704793
2-ethyl-2-(3-fluoro-5-methylphenyl)azepane
CID 79704729
1-(3-fluoro-5-methylphenyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79696984
2-(3,5-difluorophenyl)spiro[3.4]octan-2-amine
CID 65003020

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylphenyl)-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(3-fluoro-5-methylphenyl)-2,2-dimethylcyclohexan-1-amine (CID 79836961) is 1-(3-fluoro-5-methylphenyl)-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(3-fluoro-5-methylphenyl)-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(3-fluoro-5-methylphenyl)-2,2-dimethylcyclohexan-1-amine is Cc1cc(F)cc(C2(N)CCCCC2(C)C)c1.
What is the InChIKey of 1-(3-fluoro-5-methylphenyl)-2,2-dimethylcyclohexan-1-amine?
The InChIKey is FKNSQVNTNJKCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-11-8-12(10-13(16)9-11)15(17)7-5-4-6-14(15,2)3/h8-10H,4-7,17H2,1-3H3.
What are the key properties of 1-(3-fluoro-5-methylphenyl)-2,2-dimethylcyclohexan-1-amine?
1-(3-fluoro-5-methylphenyl)-2,2-dimethylcyclohexan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 3.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylphenyl)-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79836961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).