N-[1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine

C16H24FN — CID 64723418

IUPACN-[1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)CC(NC(C)c2ccc(F)cc2)C1
InChIInChI=1S/C16H24FN/c1-11-8-12(2)10-16(9-11)18-13(3)14-4-6-15(17)7-5-14/h4-7,11-13,16,18H,8-10H2,1-3H3
InChIKeyYJGANAGUJRBPQK-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.30
Rot. Bonds3

About N-[1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine

N-[1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine (PubChem CID 64723418) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
PubChem CID64723418
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)CC(NC(C)c2ccc(F)cc2)C1
InChIInChI=1S/C16H24FN/c1-11-8-12(2)10-16(9-11)18-13(3)14-4-6-15(17)7-5-14/h4-7,11-13,16,18H,8-10H2,1-3H3
InChIKeyYJGANAGUJRBPQK-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine (CID 64723418) is N-[1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine is CC1CC(C)CC(NC(C)c2ccc(F)cc2)C1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine?
The InChIKey is YJGANAGUJRBPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-11-8-12(2)10-16(9-11)18-13(3)14-4-6-15(17)7-5-14/h4-7,11-13,16,18H,8-10H2,1-3H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine?
N-[1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine has a molecular weight of 249.37 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64723418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).