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

C11H13Cl2N — CID 62604950

IUPAC2-(3,4-dichlorophenyl)cyclopentan-1-amine
SMILESNC1CCCC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H13Cl2N/c12-9-5-4-7(6-10(9)13)8-2-1-3-11(8)14/h4-6,8,11H,1-3,14H2
InChIKeyOBOYFJCCZPJIHL-UHFFFAOYSA-N
MW230.14 g/mol
LogP3.59
Rot. Bonds1

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

2-(3,4-dichlorophenyl)cyclopentan-1-amine (PubChem CID 62604950) has the molecular formula C11H13Cl2N and a molecular weight of 230.14 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)cyclopentan-1-amine
PubChem CID62604950
Molecular FormulaC11H13Cl2N
Molecular Weight230.14 g/mol
Exact Mass229.04
IUPAC Name2-(3,4-dichlorophenyl)cyclopentan-1-amine
SMILESNC1CCCC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H13Cl2N/c12-9-5-4-7(6-10(9)13)8-2-1-3-11(8)14/h4-6,8,11H,1-3,14H2
InChIKeyOBOYFJCCZPJIHL-UHFFFAOYSA-N
XLogP3.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3,4-dichlorophenyl)cyclopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)cyclopentan-1-amine?
The IUPAC name of 2-(3,4-dichlorophenyl)cyclopentan-1-amine (CID 62604950) is 2-(3,4-dichlorophenyl)cyclopentan-1-amine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)cyclopentan-1-amine?
The canonical SMILES for 2-(3,4-dichlorophenyl)cyclopentan-1-amine is NC1CCCC1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)cyclopentan-1-amine?
The InChIKey is OBOYFJCCZPJIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N/c12-9-5-4-7(6-10(9)13)8-2-1-3-11(8)14/h4-6,8,11H,1-3,14H2.
What are the key properties of 2-(3,4-dichlorophenyl)cyclopentan-1-amine?
2-(3,4-dichlorophenyl)cyclopentan-1-amine has a molecular weight of 230.14 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)cyclopentan-1-amine is sourced from PubChem (CID 62604950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).