2-bromo-N-[(5-bromo-3-pyridinyl)methyl]-5-methylaniline

C13H12Br2N2 — CID 104797103

IUPAC2-bromo-N-[(5-bromo-3-pyridinyl)methyl]-5-methylaniline
SMILESCc1ccc(Br)c(NCc2cncc(Br)c2)c1
InChIInChI=1S/C13H12Br2N2/c1-9-2-3-12(15)13(4-9)17-7-10-5-11(14)8-16-6-10/h2-6,8,17H,7H2,1H3
InChIKeyDMJSLFILBXZQSC-UHFFFAOYSA-N
MW356.06 g/mol
LogP4.53
Rot. Bonds3

About 2-bromo-N-[(5-bromo-3-pyridinyl)methyl]-5-methylaniline

2-bromo-N-[(5-bromo-3-pyridinyl)methyl]-5-methylaniline (PubChem CID 104797103) has the molecular formula C13H12Br2N2 and a molecular weight of 356.06 g/mol. Its IUPAC name is 2-bromo-N-[(5-bromo-3-pyridinyl)methyl]-5-methylaniline.

Molecular Properties

Compound Name2-bromo-N-[(5-bromo-3-pyridinyl)methyl]-5-methylaniline
PubChem CID104797103
Molecular FormulaC13H12Br2N2
Molecular Weight356.06 g/mol
Exact Mass353.94
IUPAC Name2-bromo-N-[(5-bromo-3-pyridinyl)methyl]-5-methylaniline
SMILESCc1ccc(Br)c(NCc2cncc(Br)c2)c1
InChIInChI=1S/C13H12Br2N2/c1-9-2-3-12(15)13(4-9)17-7-10-5-11(14)8-16-6-10/h2-6,8,17H,7H2,1H3
InChIKeyDMJSLFILBXZQSC-UHFFFAOYSA-N
XLogP4.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.06
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-N-[(5-bromo-3-pyridinyl)methyl]-5-methylaniline 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

N-[(5-bromo-3-pyridinyl)methyl]-2,4-dimethylaniline
CID 104796608
2-bromo-N-[(4-bromophenyl)methyl]-5-methylaniline
CID 82762026
2-bromo-5-methyl-N-[(4-methylphenyl)methyl]aniline
CID 82760988
2-bromo-N-[(3-bromophenyl)methyl]-5-methylaniline
CID 82762195
3-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-methylaniline
CID 104857012
4-bromo-N-[(5-bromo-3-pyridinyl)methyl]-3-methylaniline
CID 104796643
2,6-dibromo-4-[(2-bromo-5-methylanilino)methyl]phenol
CID 107741003
2-bromo-N-[(4-bromo-3-chlorophenyl)methyl]-5-methylaniline
CID 114076624
2-bromo-5-methyl-N-[(3,4,5-trifluorophenyl)methyl]aniline
CID 82761852
N-[(5-bromo-3-pyridinyl)methyl]-3,4-dimethylaniline
CID 104796669
N-[(5-bromo-3-pyridinyl)methyl]-1-(3-methylphenyl)methanamine
CID 104796752
N-[(5-fluoro-3-pyridinyl)methyl]-2,5-dimethylaniline
CID 104953842

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(5-bromo-3-pyridinyl)methyl]-5-methylaniline?
The IUPAC name of 2-bromo-N-[(5-bromo-3-pyridinyl)methyl]-5-methylaniline (CID 104797103) is 2-bromo-N-[(5-bromo-3-pyridinyl)methyl]-5-methylaniline.
What is the SMILES notation for 2-bromo-N-[(5-bromo-3-pyridinyl)methyl]-5-methylaniline?
The canonical SMILES for 2-bromo-N-[(5-bromo-3-pyridinyl)methyl]-5-methylaniline is Cc1ccc(Br)c(NCc2cncc(Br)c2)c1.
What is the InChIKey of 2-bromo-N-[(5-bromo-3-pyridinyl)methyl]-5-methylaniline?
The InChIKey is DMJSLFILBXZQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2/c1-9-2-3-12(15)13(4-9)17-7-10-5-11(14)8-16-6-10/h2-6,8,17H,7H2,1H3.
What are the key properties of 2-bromo-N-[(5-bromo-3-pyridinyl)methyl]-5-methylaniline?
2-bromo-N-[(5-bromo-3-pyridinyl)methyl]-5-methylaniline has a molecular weight of 356.06 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(5-bromo-3-pyridinyl)methyl]-5-methylaniline is sourced from PubChem (CID 104797103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).