4-bromo-2-N-[(3-bromo-4-methylphenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine

C16H18Br2N2 — CID 105401355

IUPAC4-bromo-2-N-[(3-bromo-4-methylphenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCc1ccc(CNc2cc(Br)ccc2N(C)C)cc1Br
InChIInChI=1S/C16H18Br2N2/c1-11-4-5-12(8-14(11)18)10-19-15-9-13(17)6-7-16(15)20(2)3/h4-9,19H,10H2,1-3H3
InChIKeyGZNXJRCDHVMKBJ-UHFFFAOYSA-N
MW398.14 g/mol
LogP5.20
Rot. Bonds4

About 4-bromo-2-N-[(3-bromo-4-methylphenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine

4-bromo-2-N-[(3-bromo-4-methylphenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine (PubChem CID 105401355) has the molecular formula C16H18Br2N2 and a molecular weight of 398.14 g/mol. Its IUPAC name is 4-bromo-2-N-[(3-bromo-4-methylphenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-2-N-[(3-bromo-4-methylphenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
PubChem CID105401355
Molecular FormulaC16H18Br2N2
Molecular Weight398.14 g/mol
Exact Mass395.98
IUPAC Name4-bromo-2-N-[(3-bromo-4-methylphenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCc1ccc(CNc2cc(Br)ccc2N(C)C)cc1Br
InChIInChI=1S/C16H18Br2N2/c1-11-4-5-12(8-14(11)18)10-19-15-9-13(17)6-7-16(15)20(2)3/h4-9,19H,10H2,1-3H3
InChIKeyGZNXJRCDHVMKBJ-UHFFFAOYSA-N
XLogP5.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.14
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-N-[(3-bromo-4-chlorophenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 83230493
4-bromo-1-N,1-N-dimethyl-2-N-[(4-methylphenyl)methyl]benzene-1,2-diamine
CID 43231807
4-bromo-2-N-[(3-fluorophenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43231812
4-bromo-1-N,1-N-dimethyl-2-N-[(4-nitrophenyl)methyl]benzene-1,2-diamine
CID 43226805
4-bromo-2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43804435
2-bromo-4-[(5-bromo-2-methylanilino)methyl]phenol
CID 60960746
4-bromo-2-N-[(4-bromothiophen-2-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43746316
5-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-methylaniline
CID 43787845
N-[(3-bromo-4-methylphenyl)methyl]-4-[(dimethylamino)methyl]aniline
CID 115876094
4-bromo-2-N-[(2-fluorophenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43231794
4-bromo-1-N,1-N-dimethyl-2-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzene-1,2-diamine
CID 62742848
N-[(4-aminophenyl)methyl]-5-bromo-2-methylaniline
CID 115212391

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N-[(3-bromo-4-methylphenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 4-bromo-2-N-[(3-bromo-4-methylphenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine (CID 105401355) is 4-bromo-2-N-[(3-bromo-4-methylphenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 4-bromo-2-N-[(3-bromo-4-methylphenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 4-bromo-2-N-[(3-bromo-4-methylphenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine is Cc1ccc(CNc2cc(Br)ccc2N(C)C)cc1Br.
What is the InChIKey of 4-bromo-2-N-[(3-bromo-4-methylphenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
The InChIKey is GZNXJRCDHVMKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Br2N2/c1-11-4-5-12(8-14(11)18)10-19-15-9-13(17)6-7-16(15)20(2)3/h4-9,19H,10H2,1-3H3.
What are the key properties of 4-bromo-2-N-[(3-bromo-4-methylphenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
4-bromo-2-N-[(3-bromo-4-methylphenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine has a molecular weight of 398.14 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-N-[(3-bromo-4-methylphenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 105401355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).