2-cyclopentyl-3-(2,5-dichlorophenyl)propan-1-amine

C14H19Cl2N — CID 112569673

IUPAC2-cyclopentyl-3-(2,5-dichlorophenyl)propan-1-amine
SMILESNCC(Cc1cc(Cl)ccc1Cl)C1CCCC1
InChIInChI=1S/C14H19Cl2N/c15-13-5-6-14(16)11(8-13)7-12(9-17)10-3-1-2-4-10/h5-6,8,10,12H,1-4,7,9,17H2
InChIKeyUMDKGFIUMCMGGB-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.30
Rot. Bonds4

About 2-cyclopentyl-3-(2,5-dichlorophenyl)propan-1-amine

2-cyclopentyl-3-(2,5-dichlorophenyl)propan-1-amine (PubChem CID 112569673) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is 2-cyclopentyl-3-(2,5-dichlorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopentyl-3-(2,5-dichlorophenyl)propan-1-amine
PubChem CID112569673
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC Name2-cyclopentyl-3-(2,5-dichlorophenyl)propan-1-amine
SMILESNCC(Cc1cc(Cl)ccc1Cl)C1CCCC1
InChIInChI=1S/C14H19Cl2N/c15-13-5-6-14(16)11(8-13)7-12(9-17)10-3-1-2-4-10/h5-6,8,10,12H,1-4,7,9,17H2
InChIKeyUMDKGFIUMCMGGB-UHFFFAOYSA-N
XLogP4.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-amine
CID 176776827
1-cycloheptyl-2-(2,5-dichlorophenyl)ethanol
CID 65399864
[1-cyclohexyl-2-(2,5-dichlorophenyl)ethyl]hydrazine
CID 105201940
1-cyclobutyl-2-(2,5-dichlorophenyl)-N-methylethanamine
CID 65321437
1-cyclobutyl-2-(2,5-dichlorophenyl)ethanol
CID 65321223
2-(2,5-dichlorophenyl)-1-(3-methylcyclohexyl)ethanamine
CID 65321480
3-(4-chlorophenyl)-2-cyclopropylpropan-1-amine
CID 82077917
[1-cyclopentylsulfanyl-3-(2,5-dichlorophenyl)propan-2-yl]hydrazine
CID 105227623
2-[(2,5-dichlorophenyl)methyl]-3-methylbutan-1-amine
CID 65318187
3-(2,5-dichlorophenyl)-2-phenylpropan-1-amine
CID 65431893
(1S)-1-cyclohexyl-N-[(2,5-dichlorophenyl)methyl]ethanamine
CID 81384496
1-(6-bicyclo[3.1.0]hexanyl)-2-(2,5-dichlorophenyl)-N-methylethanamine
CID 115862958

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3-(2,5-dichlorophenyl)propan-1-amine?
The IUPAC name of 2-cyclopentyl-3-(2,5-dichlorophenyl)propan-1-amine (CID 112569673) is 2-cyclopentyl-3-(2,5-dichlorophenyl)propan-1-amine.
What is the SMILES notation for 2-cyclopentyl-3-(2,5-dichlorophenyl)propan-1-amine?
The canonical SMILES for 2-cyclopentyl-3-(2,5-dichlorophenyl)propan-1-amine is NCC(Cc1cc(Cl)ccc1Cl)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-3-(2,5-dichlorophenyl)propan-1-amine?
The InChIKey is UMDKGFIUMCMGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c15-13-5-6-14(16)11(8-13)7-12(9-17)10-3-1-2-4-10/h5-6,8,10,12H,1-4,7,9,17H2.
What are the key properties of 2-cyclopentyl-3-(2,5-dichlorophenyl)propan-1-amine?
2-cyclopentyl-3-(2,5-dichlorophenyl)propan-1-amine has a molecular weight of 272.22 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3-(2,5-dichlorophenyl)propan-1-amine is sourced from PubChem (CID 112569673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).