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

C15H22FN — CID 79704793

IUPAC1-(3-fluoro-5-methylphenyl)-3,5-dimethylcyclohexan-1-amine
SMILESCc1cc(F)cc(C2(N)CC(C)CC(C)C2)c1
InChIInChI=1S/C15H22FN/c1-10-5-13(7-14(16)6-10)15(17)8-11(2)4-12(3)9-15/h5-7,11-12H,4,8-9,17H2,1-3H3
InChIKeyPLCAOEIYNTYDRA-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.74
Rot. Bonds1

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

1-(3-fluoro-5-methylphenyl)-3,5-dimethylcyclohexan-1-amine (PubChem CID 79704793) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylphenyl)-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-5-methylphenyl)-3,5-dimethylcyclohexan-1-amine
PubChem CID79704793
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name1-(3-fluoro-5-methylphenyl)-3,5-dimethylcyclohexan-1-amine
SMILESCc1cc(F)cc(C2(N)CC(C)CC(C)C2)c1
InChIInChI=1S/C15H22FN/c1-10-5-13(7-14(16)6-10)15(17)8-11(2)4-12(3)9-15/h5-7,11-12H,4,8-9,17H2,1-3H3
InChIKeyPLCAOEIYNTYDRA-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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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylphenyl)-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(3-fluoro-5-methylphenyl)-3,5-dimethylcyclohexan-1-amine (CID 79704793) is 1-(3-fluoro-5-methylphenyl)-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(3-fluoro-5-methylphenyl)-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(3-fluoro-5-methylphenyl)-3,5-dimethylcyclohexan-1-amine is Cc1cc(F)cc(C2(N)CC(C)CC(C)C2)c1.
What is the InChIKey of 1-(3-fluoro-5-methylphenyl)-3,5-dimethylcyclohexan-1-amine?
The InChIKey is PLCAOEIYNTYDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-10-5-13(7-14(16)6-10)15(17)8-11(2)4-12(3)9-15/h5-7,11-12H,4,8-9,17H2,1-3H3.
What are the key properties of 1-(3-fluoro-5-methylphenyl)-3,5-dimethylcyclohexan-1-amine?
1-(3-fluoro-5-methylphenyl)-3,5-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-(3-fluoro-5-methylphenyl)-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79704793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).