1-(6-bromo-2,3-dimethylphenyl)cyclopentan-1-amine

C13H18BrN — CID 117423884

IUPAC1-(6-bromo-2,3-dimethylphenyl)cyclopentan-1-amine
SMILESCc1ccc(Br)c(C2(N)CCCC2)c1C
InChIInChI=1S/C13H18BrN/c1-9-5-6-11(14)12(10(9)2)13(15)7-3-4-8-13/h5-6H,3-4,7-8,15H2,1-2H3
InChIKeyYGGIILOYCDTYLN-UHFFFAOYSA-N
MW268.20 g/mol
LogP3.79
Rot. Bonds1

About 1-(6-bromo-2,3-dimethylphenyl)cyclopentan-1-amine

1-(6-bromo-2,3-dimethylphenyl)cyclopentan-1-amine (PubChem CID 117423884) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is 1-(6-bromo-2,3-dimethylphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(6-bromo-2,3-dimethylphenyl)cyclopentan-1-amine
PubChem CID117423884
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC Name1-(6-bromo-2,3-dimethylphenyl)cyclopentan-1-amine
SMILESCc1ccc(Br)c(C2(N)CCCC2)c1C
InChIInChI=1S/C13H18BrN/c1-9-5-6-11(14)12(10(9)2)13(15)7-3-4-8-13/h5-6H,3-4,7-8,15H2,1-2H3
InChIKeyYGGIILOYCDTYLN-UHFFFAOYSA-N
XLogP3.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(6-bromo-2,3-dimethylphenyl)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

Related Compounds

1-(3-bromo-2-fluoro-6-methylphenyl)cyclopentan-1-amine
CID 84809683
1-(3-bromo-2,6-dimethylphenyl)cyclopropan-1-amine
CID 84800343
1-(6-chloro-2,3-dimethylphenyl)cyclohexan-1-amine
CID 117348296
1-(3-bromo-6-fluoro-2-methylphenyl)cyclopentan-1-amine
CID 84809682
[1-(6-bromo-2,3-dimethylphenyl)cyclopropyl]methanamine
CID 117388160
1-(6-bromo-2,3-dimethylphenyl)cyclopentane-1-carboxylic acid
CID 117478644
1-(3-fluoro-2,6-dimethylphenyl)cyclopentan-1-amine
CID 84779827
1-(2-bromo-6-fluoro-3-methylphenyl)cyclohexan-1-amine
CID 117461280
1-(2-bromo-3-methoxy-6-methylphenyl)cyclopentan-1-amine
CID 117457058
1-(5-bromo-2-fluoro-3,6-dimethylphenyl)cyclohexan-1-amine
CID 117483815
1-(5-bromo-2-methoxy-3,6-dimethylphenyl)cyclopentan-1-amine
CID 117480650
1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopentan-1-amine
CID 117468481

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2,3-dimethylphenyl)cyclopentan-1-amine?
The IUPAC name of 1-(6-bromo-2,3-dimethylphenyl)cyclopentan-1-amine (CID 117423884) is 1-(6-bromo-2,3-dimethylphenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(6-bromo-2,3-dimethylphenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(6-bromo-2,3-dimethylphenyl)cyclopentan-1-amine is Cc1ccc(Br)c(C2(N)CCCC2)c1C.
What is the InChIKey of 1-(6-bromo-2,3-dimethylphenyl)cyclopentan-1-amine?
The InChIKey is YGGIILOYCDTYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c1-9-5-6-11(14)12(10(9)2)13(15)7-3-4-8-13/h5-6H,3-4,7-8,15H2,1-2H3.
What are the key properties of 1-(6-bromo-2,3-dimethylphenyl)cyclopentan-1-amine?
1-(6-bromo-2,3-dimethylphenyl)cyclopentan-1-amine has a molecular weight of 268.20 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2,3-dimethylphenyl)cyclopentan-1-amine is sourced from PubChem (CID 117423884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).