1-[(2-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine

C15H22FN — CID 64774562

IUPAC1-[(2-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(N)(Cc2ccccc2F)C1C
InChIInChI=1S/C15H22FN/c1-11-6-5-9-15(17,12(11)2)10-13-7-3-4-8-14(13)16/h3-4,7-8,11-12H,5-6,9-10,17H2,1-2H3
InChIKeyXLCUYQPIMKOJCT-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.52
Rot. Bonds2

About 1-[(2-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine

1-[(2-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine (PubChem CID 64774562) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
PubChem CID64774562
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name1-[(2-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(N)(Cc2ccccc2F)C1C
InChIInChI=1S/C15H22FN/c1-11-6-5-9-15(17,12(11)2)10-13-7-3-4-8-14(13)16/h3-4,7-8,11-12H,5-6,9-10,17H2,1-2H3
InChIKeyXLCUYQPIMKOJCT-UHFFFAOYSA-N
XLogP3.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine (CID 64774562) is 1-[(2-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine is CC1CCCC(N)(Cc2ccccc2F)C1C.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine?
The InChIKey is XLCUYQPIMKOJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-11-6-5-9-15(17,12(11)2)10-13-7-3-4-8-14(13)16/h3-4,7-8,11-12H,5-6,9-10,17H2,1-2H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine?
1-[(2-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64774562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).