N-[(1S)-1-cyclopentylethyl]-1-(4-fluorophenyl)propan-2-amine

C16H24FN — CID 104979804

IUPACN-[(1S)-1-cyclopentylethyl]-1-(4-fluorophenyl)propan-2-amine
SMILESCC(Cc1ccc(F)cc1)N[C@@H](C)C1CCCC1
InChIInChI=1S/C16H24FN/c1-12(11-14-7-9-16(17)10-8-14)18-13(2)15-5-3-4-6-15/h7-10,12-13,15,18H,3-6,11H2,1-2H3/t12?,13-/m0/s1
InChIKeyQRLNNXDUQSOZPY-ABLWVSNPSA-N
MW249.37 g/mol
LogP3.92
Rot. Bonds5

About N-[(1S)-1-cyclopentylethyl]-1-(4-fluorophenyl)propan-2-amine

N-[(1S)-1-cyclopentylethyl]-1-(4-fluorophenyl)propan-2-amine (PubChem CID 104979804) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is N-[(1S)-1-cyclopentylethyl]-1-(4-fluorophenyl)propan-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-cyclopentylethyl]-1-(4-fluorophenyl)propan-2-amine
PubChem CID104979804
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC NameN-[(1S)-1-cyclopentylethyl]-1-(4-fluorophenyl)propan-2-amine
SMILESCC(Cc1ccc(F)cc1)N[C@@H](C)C1CCCC1
InChIInChI=1S/C16H24FN/c1-12(11-14-7-9-16(17)10-8-14)18-13(2)15-5-3-4-6-15/h7-10,12-13,15,18H,3-6,11H2,1-2H3/t12?,13-/m0/s1
InChIKeyQRLNNXDUQSOZPY-ABLWVSNPSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-N-(1-cyclobutylethyl)propan-2-amine
CID 103779090
N-[1-(4-fluorophenyl)propan-2-yl]cyclooctanamine
CID 63464519
N-[(1S)-1-cycloheptylethyl]-1-(2-fluorophenyl)propan-2-amine
CID 104979808
N-[1-(4-fluorophenyl)propan-2-yl]-4-propan-2-ylcycloheptan-1-amine
CID 65091426
1-cycloheptyl-2-(4-fluorophenyl)-N-methylethanamine
CID 55091488
1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]ethanamine
CID 81348448
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(4-fluorophenyl)propan-2-amine
CID 62995231
(1R)-1-cyclohexyl-N-[cyclopropyl-(4-fluorophenyl)methyl]ethanamine
CID 81384662
1-cyclohexyl-3-[1-(4-fluorophenyl)propan-2-yl]urea
CID 115588349
4-N-[1-(4-fluorophenyl)propan-2-yl]cyclohexane-1,4-diamine
CID 79741782
1-cyclooctyl-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 65018192
N-[cyclopropyl(thiophen-2-yl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 62994889

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopentylethyl]-1-(4-fluorophenyl)propan-2-amine?
The IUPAC name of N-[(1S)-1-cyclopentylethyl]-1-(4-fluorophenyl)propan-2-amine (CID 104979804) is N-[(1S)-1-cyclopentylethyl]-1-(4-fluorophenyl)propan-2-amine.
What is the SMILES notation for N-[(1S)-1-cyclopentylethyl]-1-(4-fluorophenyl)propan-2-amine?
The canonical SMILES for N-[(1S)-1-cyclopentylethyl]-1-(4-fluorophenyl)propan-2-amine is CC(Cc1ccc(F)cc1)N[C@@H](C)C1CCCC1.
What is the InChIKey of N-[(1S)-1-cyclopentylethyl]-1-(4-fluorophenyl)propan-2-amine?
The InChIKey is QRLNNXDUQSOZPY-ABLWVSNPSA-N. The full InChI is InChI=1S/C16H24FN/c1-12(11-14-7-9-16(17)10-8-14)18-13(2)15-5-3-4-6-15/h7-10,12-13,15,18H,3-6,11H2,1-2H3/t12?,13-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopentylethyl]-1-(4-fluorophenyl)propan-2-amine?
N-[(1S)-1-cyclopentylethyl]-1-(4-fluorophenyl)propan-2-amine has a molecular weight of 249.37 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopentylethyl]-1-(4-fluorophenyl)propan-2-amine is sourced from PubChem (CID 104979804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).