1-(2-bromophenyl)cycloheptan-1-amine

C13H18BrN — CID 62830904

IUPAC1-(2-bromophenyl)cycloheptan-1-amine
SMILESNC1(c2ccccc2Br)CCCCCC1
InChIInChI=1S/C13H18BrN/c14-12-8-4-3-7-11(12)13(15)9-5-1-2-6-10-13/h3-4,7-8H,1-2,5-6,9-10,15H2
InChIKeyYETXVCVAYZNAIX-UHFFFAOYSA-N
MW268.20 g/mol
LogP3.96
Rot. Bonds1

About 1-(2-bromophenyl)cycloheptan-1-amine

1-(2-bromophenyl)cycloheptan-1-amine (PubChem CID 62830904) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is 1-(2-bromophenyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)cycloheptan-1-amine
PubChem CID62830904
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC Name1-(2-bromophenyl)cycloheptan-1-amine
SMILESNC1(c2ccccc2Br)CCCCCC1
InChIInChI=1S/C13H18BrN/c14-12-8-4-3-7-11(12)13(15)9-5-1-2-6-10-13/h3-4,7-8H,1-2,5-6,9-10,15H2
InChIKeyYETXVCVAYZNAIX-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-bromophenyl)cycloheptan-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 1-(2-bromophenyl)cycloheptan-1-amine?
The IUPAC name of 1-(2-bromophenyl)cycloheptan-1-amine (CID 62830904) is 1-(2-bromophenyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(2-bromophenyl)cycloheptan-1-amine?
The canonical SMILES for 1-(2-bromophenyl)cycloheptan-1-amine is NC1(c2ccccc2Br)CCCCCC1.
What is the InChIKey of 1-(2-bromophenyl)cycloheptan-1-amine?
The InChIKey is YETXVCVAYZNAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c14-12-8-4-3-7-11(12)13(15)9-5-1-2-6-10-13/h3-4,7-8H,1-2,5-6,9-10,15H2.
What are the key properties of 1-(2-bromophenyl)cycloheptan-1-amine?
1-(2-bromophenyl)cycloheptan-1-amine has a molecular weight of 268.20 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)cycloheptan-1-amine is sourced from PubChem (CID 62830904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).