4-bromo-1-N-[(3-bromophenyl)methyl]-1-N-methylbenzene-1,2-diamine

C14H14Br2N2 — CID 61415618

IUPAC4-bromo-1-N-[(3-bromophenyl)methyl]-1-N-methylbenzene-1,2-diamine
SMILESCN(Cc1cccc(Br)c1)c1ccc(Br)cc1N
InChIInChI=1S/C14H14Br2N2/c1-18(9-10-3-2-4-11(15)7-10)14-6-5-12(16)8-13(14)17/h2-8H,9,17H2,1H3
InChIKeySEINPQOYBPMNLF-UHFFFAOYSA-N
MW370.09 g/mol
LogP4.43
Rot. Bonds3

About 4-bromo-1-N-[(3-bromophenyl)methyl]-1-N-methylbenzene-1,2-diamine

4-bromo-1-N-[(3-bromophenyl)methyl]-1-N-methylbenzene-1,2-diamine (PubChem CID 61415618) has the molecular formula C14H14Br2N2 and a molecular weight of 370.09 g/mol. Its IUPAC name is 4-bromo-1-N-[(3-bromophenyl)methyl]-1-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-1-N-[(3-bromophenyl)methyl]-1-N-methylbenzene-1,2-diamine
PubChem CID61415618
Molecular FormulaC14H14Br2N2
Molecular Weight370.09 g/mol
Exact Mass367.95
IUPAC Name4-bromo-1-N-[(3-bromophenyl)methyl]-1-N-methylbenzene-1,2-diamine
SMILESCN(Cc1cccc(Br)c1)c1ccc(Br)cc1N
InChIInChI=1S/C14H14Br2N2/c1-18(9-10-3-2-4-11(15)7-10)14-6-5-12(16)8-13(14)17/h2-8H,9,17H2,1H3
InChIKeySEINPQOYBPMNLF-UHFFFAOYSA-N
XLogP4.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.09
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-bromo-1-N-[(3-bromophenyl)methyl]-1-N-methylbenzene-1,2-diamine 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

3-amino-4-[(3-bromophenyl)methyl-methylamino]benzamide
CID 61415810
1-N-[(3-bromophenyl)methyl]-4-chloro-1-N,5-dimethylbenzene-1,2-diamine
CID 115126569
2-(1-aminoethyl)-5-bromo-N-[(3-bromophenyl)methyl]-N-methylaniline
CID 82972205
4-(aminomethyl)-N-[(3-bromophenyl)methyl]-2,3-difluoro-N-methylaniline
CID 107932774
5-amino-2-[(3-bromophenyl)methyl-methylamino]benzoic acid
CID 61416177
6-N-[(3-bromophenyl)methyl]-6-N-methylisoquinoline-5,6-diamine
CID 106947750
N-[(3-bromophenyl)methyl]-2-methoxy-N-methylaniline
CID 60965802
4-bromo-2-[(3-bromophenyl)methyl-methylamino]benzenecarboximidamide
CID 114904462
2-N-[(3-bromophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine
CID 79173849
3-N-[(3-bromophenyl)methyl]-3-N-methylpyrazine-2,3-diamine
CID 113228946
2-(aminomethyl)-N-[(3-bromophenyl)methyl]-5-chloro-N-methylaniline
CID 63081281
2-[(3-bromophenyl)methyl-methylamino]-5-fluorobenzaldehyde
CID 61416401

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-N-[(3-bromophenyl)methyl]-1-N-methylbenzene-1,2-diamine?
The IUPAC name of 4-bromo-1-N-[(3-bromophenyl)methyl]-1-N-methylbenzene-1,2-diamine (CID 61415618) is 4-bromo-1-N-[(3-bromophenyl)methyl]-1-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 4-bromo-1-N-[(3-bromophenyl)methyl]-1-N-methylbenzene-1,2-diamine?
The canonical SMILES for 4-bromo-1-N-[(3-bromophenyl)methyl]-1-N-methylbenzene-1,2-diamine is CN(Cc1cccc(Br)c1)c1ccc(Br)cc1N.
What is the InChIKey of 4-bromo-1-N-[(3-bromophenyl)methyl]-1-N-methylbenzene-1,2-diamine?
The InChIKey is SEINPQOYBPMNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2/c1-18(9-10-3-2-4-11(15)7-10)14-6-5-12(16)8-13(14)17/h2-8H,9,17H2,1H3.
What are the key properties of 4-bromo-1-N-[(3-bromophenyl)methyl]-1-N-methylbenzene-1,2-diamine?
4-bromo-1-N-[(3-bromophenyl)methyl]-1-N-methylbenzene-1,2-diamine has a molecular weight of 370.09 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-N-[(3-bromophenyl)methyl]-1-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 61415618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).