3-(2-chlorophenyl)-2-cyclopentyl-N-propylpropan-1-amine

C17H26ClN — CID 82934267

IUPAC3-(2-chlorophenyl)-2-cyclopentyl-N-propylpropan-1-amine
SMILESCCCNCC(Cc1ccccc1Cl)C1CCCC1
InChIInChI=1S/C17H26ClN/c1-2-11-19-13-16(14-7-3-4-8-14)12-15-9-5-6-10-17(15)18/h5-6,9-10,14,16,19H,2-4,7-8,11-13H2,1H3
InChIKeyXLDFKQGGFKSORI-UHFFFAOYSA-N
MW279.85 g/mol
LogP4.69
Rot. Bonds7

About 3-(2-chlorophenyl)-2-cyclopentyl-N-propylpropan-1-amine

3-(2-chlorophenyl)-2-cyclopentyl-N-propylpropan-1-amine (PubChem CID 82934267) has the molecular formula C17H26ClN and a molecular weight of 279.85 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-2-cyclopentyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-2-cyclopentyl-N-propylpropan-1-amine
PubChem CID82934267
Molecular FormulaC17H26ClN
Molecular Weight279.85 g/mol
Exact Mass279.18
IUPAC Name3-(2-chlorophenyl)-2-cyclopentyl-N-propylpropan-1-amine
SMILESCCCNCC(Cc1ccccc1Cl)C1CCCC1
InChIInChI=1S/C17H26ClN/c1-2-11-19-13-16(14-7-3-4-8-14)12-15-9-5-6-10-17(15)18/h5-6,9-10,14,16,19H,2-4,7-8,11-13H2,1H3
InChIKeyXLDFKQGGFKSORI-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.85
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-chlorophenyl)-2-(1,1-dioxothiolan-3-yl)-N-propylpropan-1-amine
CID 62528648
2-cyclopentyl-3-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 82933866
N-[3-(2-chlorophenyl)-2-cyclopentylpropyl]-2-methylpropan-2-amine
CID 82933669
3-(4-chlorophenyl)-2-cyclohexyl-N-propylpropan-1-amine
CID 82932711
2-cyclopentyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-1-amine
CID 112569956
N-[2-cyclohexyl-2-(2,6-dichlorophenyl)ethyl]propan-1-amine
CID 82933166
3-(4-bromophenyl)-2-cyclopentyl-N-propylpropan-1-amine
CID 82932863
2-cycloheptyl-3-(4-fluorophenyl)-N-propylpropan-1-amine
CID 82933178
2-cyclopentyl-4-phenylsulfanyl-N-propylbutan-1-amine
CID 115926645
2-cyclohexyl-N-propylpentan-1-amine
CID 82932453
2-[(2-chlorophenyl)methyl]-N-propylnonan-1-amine
CID 63520885
[2-(2-chlorophenyl)-1-cyclobutylethyl]hydrazine
CID 105209625

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-2-cyclopentyl-N-propylpropan-1-amine?
The IUPAC name of 3-(2-chlorophenyl)-2-cyclopentyl-N-propylpropan-1-amine (CID 82934267) is 3-(2-chlorophenyl)-2-cyclopentyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-(2-chlorophenyl)-2-cyclopentyl-N-propylpropan-1-amine?
The canonical SMILES for 3-(2-chlorophenyl)-2-cyclopentyl-N-propylpropan-1-amine is CCCNCC(Cc1ccccc1Cl)C1CCCC1.
What is the InChIKey of 3-(2-chlorophenyl)-2-cyclopentyl-N-propylpropan-1-amine?
The InChIKey is XLDFKQGGFKSORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-2-11-19-13-16(14-7-3-4-8-14)12-15-9-5-6-10-17(15)18/h5-6,9-10,14,16,19H,2-4,7-8,11-13H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-2-cyclopentyl-N-propylpropan-1-amine?
3-(2-chlorophenyl)-2-cyclopentyl-N-propylpropan-1-amine has a molecular weight of 279.85 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-2-cyclopentyl-N-propylpropan-1-amine is sourced from PubChem (CID 82934267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).