N-[1-(2,4-dibromophenyl)ethyl]-2,2-dimethylcyclopentan-1-amine

C15H21Br2N — CID 79862054

IUPACN-[1-(2,4-dibromophenyl)ethyl]-2,2-dimethylcyclopentan-1-amine
SMILESCC(NC1CCCC1(C)C)c1ccc(Br)cc1Br
InChIInChI=1S/C15H21Br2N/c1-10(12-7-6-11(16)9-13(12)17)18-14-5-4-8-15(14,2)3/h6-7,9-10,14,18H,4-5,8H2,1-3H3
InChIKeyYBIVIKBICOWZBK-UHFFFAOYSA-N
MW375.15 g/mol
LogP5.44
Rot. Bonds3

About N-[1-(2,4-dibromophenyl)ethyl]-2,2-dimethylcyclopentan-1-amine

N-[1-(2,4-dibromophenyl)ethyl]-2,2-dimethylcyclopentan-1-amine (PubChem CID 79862054) has the molecular formula C15H21Br2N and a molecular weight of 375.15 g/mol. Its IUPAC name is N-[1-(2,4-dibromophenyl)ethyl]-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(2,4-dibromophenyl)ethyl]-2,2-dimethylcyclopentan-1-amine
PubChem CID79862054
Molecular FormulaC15H21Br2N
Molecular Weight375.15 g/mol
Exact Mass373.00
IUPAC NameN-[1-(2,4-dibromophenyl)ethyl]-2,2-dimethylcyclopentan-1-amine
SMILESCC(NC1CCCC1(C)C)c1ccc(Br)cc1Br
InChIInChI=1S/C15H21Br2N/c1-10(12-7-6-11(16)9-13(12)17)18-14-5-4-8-15(14,2)3/h6-7,9-10,14,18H,4-5,8H2,1-3H3
InChIKeyYBIVIKBICOWZBK-UHFFFAOYSA-N
XLogP5.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.15
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(2,4-dibromophenyl)ethyl]-2,2-dimethylcyclopentan-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 N-[1-(2,4-dibromophenyl)ethyl]-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of N-[1-(2,4-dibromophenyl)ethyl]-2,2-dimethylcyclopentan-1-amine (CID 79862054) is N-[1-(2,4-dibromophenyl)ethyl]-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(2,4-dibromophenyl)ethyl]-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[1-(2,4-dibromophenyl)ethyl]-2,2-dimethylcyclopentan-1-amine is CC(NC1CCCC1(C)C)c1ccc(Br)cc1Br.
What is the InChIKey of N-[1-(2,4-dibromophenyl)ethyl]-2,2-dimethylcyclopentan-1-amine?
The InChIKey is YBIVIKBICOWZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br2N/c1-10(12-7-6-11(16)9-13(12)17)18-14-5-4-8-15(14,2)3/h6-7,9-10,14,18H,4-5,8H2,1-3H3.
What are the key properties of N-[1-(2,4-dibromophenyl)ethyl]-2,2-dimethylcyclopentan-1-amine?
N-[1-(2,4-dibromophenyl)ethyl]-2,2-dimethylcyclopentan-1-amine has a molecular weight of 375.15 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dibromophenyl)ethyl]-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79862054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).