1-(2,6-difluoro-3-methylphenyl)-2,3-dimethylcyclohexan-1-amine

C15H21F2N — CID 82820099

IUPAC1-(2,6-difluoro-3-methylphenyl)-2,3-dimethylcyclohexan-1-amine
SMILESCc1ccc(F)c(C2(N)CCCC(C)C2C)c1F
InChIInChI=1S/C15H21F2N/c1-9-5-4-8-15(18,11(9)3)13-12(16)7-6-10(2)14(13)17/h6-7,9,11H,4-5,8,18H2,1-3H3
InChIKeyCAPOUYMBFHVICS-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.88
Rot. Bonds1

About 1-(2,6-difluoro-3-methylphenyl)-2,3-dimethylcyclohexan-1-amine

1-(2,6-difluoro-3-methylphenyl)-2,3-dimethylcyclohexan-1-amine (PubChem CID 82820099) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-2,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-2,3-dimethylcyclohexan-1-amine
PubChem CID82820099
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-2,3-dimethylcyclohexan-1-amine
SMILESCc1ccc(F)c(C2(N)CCCC(C)C2C)c1F
InChIInChI=1S/C15H21F2N/c1-9-5-4-8-15(18,11(9)3)13-12(16)7-6-10(2)14(13)17/h6-7,9,11H,4-5,8,18H2,1-3H3
InChIKeyCAPOUYMBFHVICS-UHFFFAOYSA-N
XLogP3.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluorophenyl)-2,3-dimethylcyclohexan-1-amine
CID 64774969
3-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)cyclohexan-1-amine
CID 82819865
1-(2,6-difluoro-3-methylphenyl)-2,5-dimethylcyclohexan-1-amine
CID 82820255
1-(2,6-difluoro-3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 82819791
1-(3-fluoro-4-pyridinyl)-2,3-dimethylcyclohexan-1-amine
CID 104737792
1-(3-chloro-4-methylphenyl)-2,3-dimethylcyclohexan-1-amine
CID 107559783
1-(2,6-difluoro-3-methylphenyl)-3-methylcyclopentan-1-ol
CID 82820086
1-(2,6-difluoro-3-methylphenyl)-2-methylcyclopropan-1-ol
CID 82815611
1-(3-fluoro-4-methylphenyl)-2,3-dimethylcyclohexan-1-ol
CID 107128067
1-[(2-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 64774562
[1-(2,6-difluoro-3-methylphenyl)cyclopentyl]methanamine
CID 117323755
1-(3-methoxypyrazin-2-yl)-2,3-dimethylcyclohexan-1-amine
CID 104514811

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2,3-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2,3-dimethylcyclohexan-1-amine (CID 82820099) is 1-(2,6-difluoro-3-methylphenyl)-2,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-2,3-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-2,3-dimethylcyclohexan-1-amine is Cc1ccc(F)c(C2(N)CCCC(C)C2C)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-2,3-dimethylcyclohexan-1-amine?
The InChIKey is CAPOUYMBFHVICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-9-5-4-8-15(18,11(9)3)13-12(16)7-6-10(2)14(13)17/h6-7,9,11H,4-5,8,18H2,1-3H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-2,3-dimethylcyclohexan-1-amine?
1-(2,6-difluoro-3-methylphenyl)-2,3-dimethylcyclohexan-1-amine has a molecular weight of 253.34 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)-2,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 82820099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).