N-benzyl-2-(3,4-dichlorophenyl)cyclopentan-1-amine

C18H19Cl2N — CID 166350065

IUPACN-benzyl-2-(3,4-dichlorophenyl)cyclopentan-1-amine
SMILESClc1ccc(C2CCCC2NCc2ccccc2)cc1Cl
InChIInChI=1S/C18H19Cl2N/c19-16-10-9-14(11-17(16)20)15-7-4-8-18(15)21-12-13-5-2-1-3-6-13/h1-3,5-6,9-11,15,18,21H,4,7-8,12H2
InChIKeyZTKWMCZIELMLMT-UHFFFAOYSA-N
MW320.26 g/mol
LogP5.42
Rot. Bonds4

About N-benzyl-2-(3,4-dichlorophenyl)cyclopentan-1-amine

N-benzyl-2-(3,4-dichlorophenyl)cyclopentan-1-amine (PubChem CID 166350065) has the molecular formula C18H19Cl2N and a molecular weight of 320.26 g/mol. Its IUPAC name is N-benzyl-2-(3,4-dichlorophenyl)cyclopentan-1-amine.

Molecular Properties

Compound NameN-benzyl-2-(3,4-dichlorophenyl)cyclopentan-1-amine
PubChem CID166350065
Molecular FormulaC18H19Cl2N
Molecular Weight320.26 g/mol
Exact Mass319.09
IUPAC NameN-benzyl-2-(3,4-dichlorophenyl)cyclopentan-1-amine
SMILESClc1ccc(C2CCCC2NCc2ccccc2)cc1Cl
InChIInChI=1S/C18H19Cl2N/c19-16-10-9-14(11-17(16)20)15-7-4-8-18(15)21-12-13-5-2-1-3-6-13/h1-3,5-6,9-11,15,18,21H,4,7-8,12H2
InChIKeyZTKWMCZIELMLMT-UHFFFAOYSA-N
XLogP5.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.26
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Sertraline
CID 68617
Sertraline Hydrochloride
CID 63009
Indatraline
CID 126280
Indatraline hydrochloride
CID 10314472
[3-(3,4-Dichloro-phenyl)-indan-1-yl]-methyl-amine
CID 3703
3-(3,4-Dichlorophenyl)-2-nortropene
CID 10220657
(RS/SR)-2-[1-(3,4-dichlorophenyl)butyl]piperidine
CID 16102764
3-(3,4-Dichlorophenyl)-2,3-dihydro-N-methyl-1H-inden-1-amine hydrochloride
CID 3020938
[3-(3,4-Dichloro-phenyl)-indan-1-yl]-dimethyl-amine
CID 9796539
[3-(3,4-Dichloro-phenyl)-indan-1-yl]-ethyl-amine;chloride
CID 9884474
[3-(4-Chloro-phenyl)-indan-1-yl]-methyl-amine
CID 13543806
1-(1-(3,4-Dichlorophenyl)cyclohexyl)-3-methylbutan-1-amine
CID 24860903

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3,4-dichlorophenyl)cyclopentan-1-amine?
The IUPAC name of N-benzyl-2-(3,4-dichlorophenyl)cyclopentan-1-amine (CID 166350065) is N-benzyl-2-(3,4-dichlorophenyl)cyclopentan-1-amine.
What is the SMILES notation for N-benzyl-2-(3,4-dichlorophenyl)cyclopentan-1-amine?
The canonical SMILES for N-benzyl-2-(3,4-dichlorophenyl)cyclopentan-1-amine is Clc1ccc(C2CCCC2NCc2ccccc2)cc1Cl.
What is the InChIKey of N-benzyl-2-(3,4-dichlorophenyl)cyclopentan-1-amine?
The InChIKey is ZTKWMCZIELMLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N/c19-16-10-9-14(11-17(16)20)15-7-4-8-18(15)21-12-13-5-2-1-3-6-13/h1-3,5-6,9-11,15,18,21H,4,7-8,12H2.
What are the key properties of N-benzyl-2-(3,4-dichlorophenyl)cyclopentan-1-amine?
N-benzyl-2-(3,4-dichlorophenyl)cyclopentan-1-amine has a molecular weight of 320.26 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3,4-dichlorophenyl)cyclopentan-1-amine is sourced from PubChem (CID 166350065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).