N-(2-chloroethyl)-N-[(3-chlorophenyl)methyl]cyclopentanamine

C14H19Cl2N — CID 63389670

IUPACN-(2-chloroethyl)-N-[(3-chlorophenyl)methyl]cyclopentanamine
SMILESClCCN(Cc1cccc(Cl)c1)C1CCCC1
InChIInChI=1S/C14H19Cl2N/c15-8-9-17(14-6-1-2-7-14)11-12-4-3-5-13(16)10-12/h3-5,10,14H,1-2,6-9,11H2
InChIKeySXKWJGMSHAGGPL-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.32
Rot. Bonds5

About N-(2-chloroethyl)-N-[(3-chlorophenyl)methyl]cyclopentanamine

N-(2-chloroethyl)-N-[(3-chlorophenyl)methyl]cyclopentanamine (PubChem CID 63389670) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-[(3-chlorophenyl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-[(3-chlorophenyl)methyl]cyclopentanamine
PubChem CID63389670
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC NameN-(2-chloroethyl)-N-[(3-chlorophenyl)methyl]cyclopentanamine
SMILESClCCN(Cc1cccc(Cl)c1)C1CCCC1
InChIInChI=1S/C14H19Cl2N/c15-8-9-17(14-6-1-2-7-14)11-12-4-3-5-13(16)10-12/h3-5,10,14H,1-2,6-9,11H2
InChIKeySXKWJGMSHAGGPL-UHFFFAOYSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-[(3-chlorophenyl)methyl]-N'-cyclopentylethane-1,2-diamine
CID 39356192
N-(2-chloroethyl)-N-[(3-methoxyphenyl)methyl]cyclohexanamine
CID 63386912
N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]cyclohexanamine
CID 65318354
N-(2-chloroethyl)-N-[(4-chlorophenyl)methyl]cyclopropanamine
CID 63387371
N-(2-chloroethyl)-N-[(5-chloro-2-fluorophenyl)methyl]cyclobutanamine
CID 103050095
N-(2-chloroethyl)-N-[(3,4-dimethylphenyl)methyl]cyclobutanamine
CID 102861334
N-[(3-chlorophenyl)methyl]-N-methylcyclopropanamine
CID 130877387
N-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-N-[(3-chlorophenyl)methyl]cyclopropanamine
CID 91830249
4-[[2-chloroethyl(cyclobutyl)amino]methyl]phenol
CID 102861348
N-[(3-chlorophenyl)methyl]-2-[cyclobutyl(2-hydroxyethyl)amino]-N-methylacetamide
CID 102677225
3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol
CID 102679360
N-(2-chloroethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexanamine
CID 63387062

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-[(3-chlorophenyl)methyl]cyclopentanamine?
The IUPAC name of N-(2-chloroethyl)-N-[(3-chlorophenyl)methyl]cyclopentanamine (CID 63389670) is N-(2-chloroethyl)-N-[(3-chlorophenyl)methyl]cyclopentanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-[(3-chlorophenyl)methyl]cyclopentanamine?
The canonical SMILES for N-(2-chloroethyl)-N-[(3-chlorophenyl)methyl]cyclopentanamine is ClCCN(Cc1cccc(Cl)c1)C1CCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-[(3-chlorophenyl)methyl]cyclopentanamine?
The InChIKey is SXKWJGMSHAGGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c15-8-9-17(14-6-1-2-7-14)11-12-4-3-5-13(16)10-12/h3-5,10,14H,1-2,6-9,11H2.
What are the key properties of N-(2-chloroethyl)-N-[(3-chlorophenyl)methyl]cyclopentanamine?
N-(2-chloroethyl)-N-[(3-chlorophenyl)methyl]cyclopentanamine has a molecular weight of 272.22 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-[(3-chlorophenyl)methyl]cyclopentanamine is sourced from PubChem (CID 63389670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).