1-(2,6-difluoro-3-methylphenyl)-2,5-dimethylcyclohexan-1-amine

C15H21F2N — CID 82820255

IUPAC1-(2,6-difluoro-3-methylphenyl)-2,5-dimethylcyclohexan-1-amine
SMILESCc1ccc(F)c(C2(N)CC(C)CCC2C)c1F
InChIInChI=1S/C15H21F2N/c1-9-4-6-11(3)15(18,8-9)13-12(16)7-5-10(2)14(13)17/h5,7,9,11H,4,6,8,18H2,1-3H3
InChIKeyXKRKKRREYZSGNP-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.88
Rot. Bonds1

About 1-(2,6-difluoro-3-methylphenyl)-2,5-dimethylcyclohexan-1-amine

1-(2,6-difluoro-3-methylphenyl)-2,5-dimethylcyclohexan-1-amine (PubChem CID 82820255) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-2,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-2,5-dimethylcyclohexan-1-amine
PubChem CID82820255
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-2,5-dimethylcyclohexan-1-amine
SMILESCc1ccc(F)c(C2(N)CC(C)CCC2C)c1F
InChIInChI=1S/C15H21F2N/c1-9-4-6-11(3)15(18,8-9)13-12(16)7-5-10(2)14(13)17/h5,7,9,11H,4,6,8,18H2,1-3H3
InChIKeyXKRKKRREYZSGNP-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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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2,5-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2,5-dimethylcyclohexan-1-amine (CID 82820255) is 1-(2,6-difluoro-3-methylphenyl)-2,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-2,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-2,5-dimethylcyclohexan-1-amine is Cc1ccc(F)c(C2(N)CC(C)CCC2C)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-2,5-dimethylcyclohexan-1-amine?
The InChIKey is XKRKKRREYZSGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-9-4-6-11(3)15(18,8-9)13-12(16)7-5-10(2)14(13)17/h5,7,9,11H,4,6,8,18H2,1-3H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-2,5-dimethylcyclohexan-1-amine?
1-(2,6-difluoro-3-methylphenyl)-2,5-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)-2,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 82820255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).