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

C16H24FN — CID 81348393

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)CC(N[C@H](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/t11?,12?,13-,16?/m1/s1
InChIKeyYJGANAGUJRBPQK-HTVNSPLZSA-N
MW249.37 g/mol
LogP4.30
Rot. Bonds3

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

N-[(1R)-1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine (PubChem CID 81348393) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
PubChem CID81348393
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)CC(N[C@H](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/t11?,12?,13-,16?/m1/s1
InChIKeyYJGANAGUJRBPQK-HTVNSPLZSA-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-[(1R)-1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine (CID 81348393) is N-[(1R)-1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine is CC1CC(C)CC(N[C@H](C)c2ccc(F)cc2)C1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine?
The InChIKey is YJGANAGUJRBPQK-HTVNSPLZSA-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/t11?,12?,13-,16?/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine?
N-[(1R)-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-[(1R)-1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 81348393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).