4-bromo-2-[(3-bromophenyl)methyl-methylamino]benzenecarboximidamide

C15H15Br2N3 — CID 114904462

IUPAC4-bromo-2-[(3-bromophenyl)methyl-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Br)cc1N(C)Cc1cccc(Br)c1
InChIInChI=1S/C15H15Br2N3/c1-20(9-10-3-2-4-11(16)7-10)14-8-12(17)5-6-13(14)15(18)19/h2-8H,9H2,1H3,(H3,18,19)
InChIKeyWWJBWHCAHKUONQ-UHFFFAOYSA-N
MW397.11 g/mol
LogP4.13
Rot. Bonds4

About 4-bromo-2-[(3-bromophenyl)methyl-methylamino]benzenecarboximidamide

4-bromo-2-[(3-bromophenyl)methyl-methylamino]benzenecarboximidamide (PubChem CID 114904462) has the molecular formula C15H15Br2N3 and a molecular weight of 397.11 g/mol. Its IUPAC name is 4-bromo-2-[(3-bromophenyl)methyl-methylamino]benzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-2-[(3-bromophenyl)methyl-methylamino]benzenecarboximidamide
PubChem CID114904462
Molecular FormulaC15H15Br2N3
Molecular Weight397.11 g/mol
Exact Mass394.96
IUPAC Name4-bromo-2-[(3-bromophenyl)methyl-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Br)cc1N(C)Cc1cccc(Br)c1
InChIInChI=1S/C15H15Br2N3/c1-20(9-10-3-2-4-11(16)7-10)14-8-12(17)5-6-13(14)15(18)19/h2-8H,9H2,1H3,(H3,18,19)
InChIKeyWWJBWHCAHKUONQ-UHFFFAOYSA-N
XLogP4.13
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.11
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-bromo-2-[(3-bromophenyl)methyl-methylamino]benzenecarboximidamide 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

2-bromo-4-[(3-bromophenyl)methyl-methylamino]benzenecarboximidamide
CID 107279167
5-bromo-2-[methyl-[(3-methylphenyl)methyl]amino]benzenecarboximidamide
CID 114892898
4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzenecarboximidamide
CID 63093863
4-bromo-2-[(4-bromothiophen-2-yl)methyl-methylamino]benzenecarboximidamide
CID 114904502
4-bromo-2-[methyl-[(3-methylphenyl)methyl]amino]benzenecarbothioamide
CID 114902862
4-bromo-2-[methyl(propan-2-yl)amino]benzenecarboximidamide
CID 114904389
4-bromo-N'-hydroxy-2-[methyl-[(3-methylphenyl)methyl]amino]benzenecarboximidamide
CID 114903931
4-bromo-1-N-[(3-bromophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 61415618
2-(1-aminoethyl)-5-bromo-N-[(3-bromophenyl)methyl]-N-methylaniline
CID 82972205
4-bromo-2-(2-fluoro-N-methylanilino)benzenecarboximidamide
CID 114904547
1-[2-[(3-bromophenyl)methyl-methylamino]phenyl]ethanone
CID 61416058
4-bromo-2-[(3-fluorophenyl)methyl-methylamino]benzoic acid
CID 43364770

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(3-bromophenyl)methyl-methylamino]benzenecarboximidamide?
The IUPAC name of 4-bromo-2-[(3-bromophenyl)methyl-methylamino]benzenecarboximidamide (CID 114904462) is 4-bromo-2-[(3-bromophenyl)methyl-methylamino]benzenecarboximidamide.
What is the SMILES notation for 4-bromo-2-[(3-bromophenyl)methyl-methylamino]benzenecarboximidamide?
The canonical SMILES for 4-bromo-2-[(3-bromophenyl)methyl-methylamino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(Br)cc1N(C)Cc1cccc(Br)c1.
What is the InChIKey of 4-bromo-2-[(3-bromophenyl)methyl-methylamino]benzenecarboximidamide?
The InChIKey is WWJBWHCAHKUONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2N3/c1-20(9-10-3-2-4-11(16)7-10)14-8-12(17)5-6-13(14)15(18)19/h2-8H,9H2,1H3,(H3,18,19).
What are the key properties of 4-bromo-2-[(3-bromophenyl)methyl-methylamino]benzenecarboximidamide?
4-bromo-2-[(3-bromophenyl)methyl-methylamino]benzenecarboximidamide has a molecular weight of 397.11 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(3-bromophenyl)methyl-methylamino]benzenecarboximidamide is sourced from PubChem (CID 114904462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).