3-cyclopentyl-N-ethyl-2-(4-fluorophenyl)propan-1-amine

C16H24FN — CID 79441698

IUPAC3-cyclopentyl-N-ethyl-2-(4-fluorophenyl)propan-1-amine
SMILESCCNCC(CC1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C16H24FN/c1-2-18-12-15(11-13-5-3-4-6-13)14-7-9-16(17)10-8-14/h7-10,13,15,18H,2-6,11-12H2,1H3
InChIKeyUJQDOEZVVVQNDB-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.10
Rot. Bonds6

About 3-cyclopentyl-N-ethyl-2-(4-fluorophenyl)propan-1-amine

3-cyclopentyl-N-ethyl-2-(4-fluorophenyl)propan-1-amine (PubChem CID 79441698) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 3-cyclopentyl-N-ethyl-2-(4-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-N-ethyl-2-(4-fluorophenyl)propan-1-amine
PubChem CID79441698
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name3-cyclopentyl-N-ethyl-2-(4-fluorophenyl)propan-1-amine
SMILESCCNCC(CC1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C16H24FN/c1-2-18-12-15(11-13-5-3-4-6-13)14-7-9-16(17)10-8-14/h7-10,13,15,18H,2-6,11-12H2,1H3
InChIKeyUJQDOEZVVVQNDB-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine
CID 79441863
2-cycloheptyl-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 82933615
2-(4-chlorophenyl)-3-cyclopentyl-N-methylpropan-1-amine
CID 79441644
N-ethyl-2-(4-fluorophenyl)-4-methylhexan-1-amine
CID 79442362
4-cyclopentyl-N-ethyl-2-phenylbutan-1-amine
CID 81024739
2-(cyclopropylmethoxy)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 55036276
N-ethyl-3-(4-fluorophenyl)-2-(4-methylphenyl)propan-1-amine
CID 79436688
N-ethyl-2-(4-fluorophenyl)-3-(4-methylphenyl)propan-1-amine
CID 79442006
N-ethyl-2-(4-fluorophenyl)-5-methylsulfanylpentan-1-amine
CID 113474259
N-[3-cyclopentyl-2-(4-methylphenyl)propyl]-2-methylpropan-2-amine
CID 79436169
N-ethyl-2-(4-fluorophenyl)-5-(2-methoxyethoxy)pentan-1-amine
CID 103412592
2-(cyclopentylmethoxy)-2-(4-fluorophenyl)-N-methylethanamine
CID 66323116

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-ethyl-2-(4-fluorophenyl)propan-1-amine?
The IUPAC name of 3-cyclopentyl-N-ethyl-2-(4-fluorophenyl)propan-1-amine (CID 79441698) is 3-cyclopentyl-N-ethyl-2-(4-fluorophenyl)propan-1-amine.
What is the SMILES notation for 3-cyclopentyl-N-ethyl-2-(4-fluorophenyl)propan-1-amine?
The canonical SMILES for 3-cyclopentyl-N-ethyl-2-(4-fluorophenyl)propan-1-amine is CCNCC(CC1CCCC1)c1ccc(F)cc1.
What is the InChIKey of 3-cyclopentyl-N-ethyl-2-(4-fluorophenyl)propan-1-amine?
The InChIKey is UJQDOEZVVVQNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-2-18-12-15(11-13-5-3-4-6-13)14-7-9-16(17)10-8-14/h7-10,13,15,18H,2-6,11-12H2,1H3.
What are the key properties of 3-cyclopentyl-N-ethyl-2-(4-fluorophenyl)propan-1-amine?
3-cyclopentyl-N-ethyl-2-(4-fluorophenyl)propan-1-amine has a molecular weight of 249.37 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-ethyl-2-(4-fluorophenyl)propan-1-amine is sourced from PubChem (CID 79441698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).