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

C15H15Br2ClN2 — CID 83230493

IUPAC4-bromo-2-N-[(3-bromo-4-chlorophenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccc(Br)cc1NCc1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H15Br2ClN2/c1-20(2)15-6-4-11(16)8-14(15)19-9-10-3-5-13(18)12(17)7-10/h3-8,19H,9H2,1-2H3
InChIKeyLCYORPZCEAOJJO-UHFFFAOYSA-N
MW418.56 g/mol
LogP5.54
Rot. Bonds4

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

4-bromo-2-N-[(3-bromo-4-chlorophenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine (PubChem CID 83230493) has the molecular formula C15H15Br2ClN2 and a molecular weight of 418.56 g/mol. Its IUPAC name is 4-bromo-2-N-[(3-bromo-4-chlorophenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-2-N-[(3-bromo-4-chlorophenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
PubChem CID83230493
Molecular FormulaC15H15Br2ClN2
Molecular Weight418.56 g/mol
Exact Mass415.93
IUPAC Name4-bromo-2-N-[(3-bromo-4-chlorophenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccc(Br)cc1NCc1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H15Br2ClN2/c1-20(2)15-6-4-11(16)8-14(15)19-9-10-3-5-13(18)12(17)7-10/h3-8,19H,9H2,1-2H3
InChIKeyLCYORPZCEAOJJO-UHFFFAOYSA-N
XLogP5.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.56
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-N-[(3-bromo-4-methylphenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 105401355
4-bromo-1-N,1-N-dimethyl-2-N-[(4-methylphenyl)methyl]benzene-1,2-diamine
CID 43231807
4-bromo-2-[(3-bromo-4-chlorophenyl)methylamino]benzonitrile
CID 107797752
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
4-N-[(4-bromophenyl)methyl]-2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine
CID 63450826
N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methylaniline
CID 83235718
4-chloro-2-N-[(3,4-difluorophenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43231688
4-bromo-2-N-[(4-bromothiophen-2-yl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43746316
1-(3-bromo-4-chlorophenyl)-N-methylmethanamine
CID 75355471
N-[(3-bromo-4-chlorophenyl)methyl]-4-chloro-2-fluoroaniline
CID 83236223

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N-[(3-bromo-4-chlorophenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 4-bromo-2-N-[(3-bromo-4-chlorophenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine (CID 83230493) is 4-bromo-2-N-[(3-bromo-4-chlorophenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 4-bromo-2-N-[(3-bromo-4-chlorophenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 4-bromo-2-N-[(3-bromo-4-chlorophenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine is CN(C)c1ccc(Br)cc1NCc1ccc(Cl)c(Br)c1.
What is the InChIKey of 4-bromo-2-N-[(3-bromo-4-chlorophenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
The InChIKey is LCYORPZCEAOJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2ClN2/c1-20(2)15-6-4-11(16)8-14(15)19-9-10-3-5-13(18)12(17)7-10/h3-8,19H,9H2,1-2H3.
What are the key properties of 4-bromo-2-N-[(3-bromo-4-chlorophenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
4-bromo-2-N-[(3-bromo-4-chlorophenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine has a molecular weight of 418.56 g/mol, XLogP of 5.54, 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-chlorophenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 83230493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).