N-[(2-bromophenyl)methyl]aniline

C13H12BrN — CID 11807466

IUPACN-[(2-bromophenyl)methyl]aniline
SMILESBrc1ccccc1CNc1ccccc1
InChIInChI=1S/C13H12BrN/c14-13-9-5-4-6-11(13)10-15-12-7-2-1-3-8-12/h1-9,15H,10H2
InChIKeyFIRKGWNQDJHYJQ-UHFFFAOYSA-N
MW262.15 g/mol
LogP4.06
Rot. Bonds3

About N-[(2-bromophenyl)methyl]aniline

N-[(2-bromophenyl)methyl]aniline (PubChem CID 11807466) has the molecular formula C13H12BrN and a molecular weight of 262.15 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]aniline.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]aniline
PubChem CID11807466
Molecular FormulaC13H12BrN
Molecular Weight262.15 g/mol
Exact Mass261.02
IUPAC NameN-[(2-bromophenyl)methyl]aniline
SMILESBrc1ccccc1CNc1ccccc1
InChIInChI=1S/C13H12BrN/c14-13-9-5-4-6-11(13)10-15-12-7-2-1-3-8-12/h1-9,15H,10H2
InChIKeyFIRKGWNQDJHYJQ-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2-bromophenyl)methyl]aniline 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-[(2-bromophenyl)methyl]aniline?
The IUPAC name of N-[(2-bromophenyl)methyl]aniline (CID 11807466) is N-[(2-bromophenyl)methyl]aniline.
What is the SMILES notation for N-[(2-bromophenyl)methyl]aniline?
The canonical SMILES for N-[(2-bromophenyl)methyl]aniline is Brc1ccccc1CNc1ccccc1.
What is the InChIKey of N-[(2-bromophenyl)methyl]aniline?
The InChIKey is FIRKGWNQDJHYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN/c14-13-9-5-4-6-11(13)10-15-12-7-2-1-3-8-12/h1-9,15H,10H2.
What are the key properties of N-[(2-bromophenyl)methyl]aniline?
N-[(2-bromophenyl)methyl]aniline has a molecular weight of 262.15 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]aniline is sourced from PubChem (CID 11807466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).