3-cyclopentyl-1-(4-fluorophenyl)-N-propylpropan-1-amine

C17H26FN — CID 43494684

IUPAC3-cyclopentyl-1-(4-fluorophenyl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C17H26FN/c1-2-13-19-17(12-7-14-5-3-4-6-14)15-8-10-16(18)11-9-15/h8-11,14,17,19H,2-7,12-13H2,1H3
InChIKeyZAVKIESYMHPOGM-UHFFFAOYSA-N
MW263.40 g/mol
LogP4.84
Rot. Bonds7

About 3-cyclopentyl-1-(4-fluorophenyl)-N-propylpropan-1-amine

3-cyclopentyl-1-(4-fluorophenyl)-N-propylpropan-1-amine (PubChem CID 43494684) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is 3-cyclopentyl-1-(4-fluorophenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-1-(4-fluorophenyl)-N-propylpropan-1-amine
PubChem CID43494684
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC Name3-cyclopentyl-1-(4-fluorophenyl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C17H26FN/c1-2-13-19-17(12-7-14-5-3-4-6-14)15-8-10-16(18)11-9-15/h8-11,14,17,19H,2-7,12-13H2,1H3
InChIKeyZAVKIESYMHPOGM-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-cyclohexylethyl)-1-(4-fluorophenyl)pentan-1-amine
CID 63448264
3-cycloheptyl-1-phenyl-N-propylpropan-1-amine
CID 82924096
1-(3-bromo-4-fluorophenyl)-3-cyclopentyl-N-propylpropan-1-amine
CID 79747612
3-cyclopentyl-1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 115792780
1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194
3-cyclopentyl-1-(2-methylphenyl)-N-propylpropan-1-amine
CID 115794758
1-(4-chlorophenyl)-N-(2-cyclopentylethyl)butan-1-amine
CID 63450134
1-(cyclopenten-1-yl)-3-cyclopentyl-N-propylpropan-1-amine
CID 55196271
1-(4-fluorophenyl)-3-propoxy-N-propylpropan-1-amine
CID 105088079
N-(3-cyclopentylpropyl)-1-phenylbutan-1-amine
CID 106008352
4-cyclopentyl-1-(2,5-difluorophenyl)-N-propylbutan-2-amine
CID 115809797
3-cyclopentyl-1-(5-methoxy-3-pyridinyl)-N-propylpropan-1-amine
CID 105025931

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(4-fluorophenyl)-N-propylpropan-1-amine?
The IUPAC name of 3-cyclopentyl-1-(4-fluorophenyl)-N-propylpropan-1-amine (CID 43494684) is 3-cyclopentyl-1-(4-fluorophenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-cyclopentyl-1-(4-fluorophenyl)-N-propylpropan-1-amine?
The canonical SMILES for 3-cyclopentyl-1-(4-fluorophenyl)-N-propylpropan-1-amine is CCCNC(CCC1CCCC1)c1ccc(F)cc1.
What is the InChIKey of 3-cyclopentyl-1-(4-fluorophenyl)-N-propylpropan-1-amine?
The InChIKey is ZAVKIESYMHPOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-2-13-19-17(12-7-14-5-3-4-6-14)15-8-10-16(18)11-9-15/h8-11,14,17,19H,2-7,12-13H2,1H3.
What are the key properties of 3-cyclopentyl-1-(4-fluorophenyl)-N-propylpropan-1-amine?
3-cyclopentyl-1-(4-fluorophenyl)-N-propylpropan-1-amine has a molecular weight of 263.40 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(4-fluorophenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 43494684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).