4-chloro-2-N-[1-(2,4-dibromophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine

C16H17Br2ClN2 — CID 60782071

IUPAC4-chloro-2-N-[1-(2,4-dibromophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCC(Nc1cc(Cl)ccc1N(C)C)c1ccc(Br)cc1Br
InChIInChI=1S/C16H17Br2ClN2/c1-10(13-6-4-11(17)8-14(13)18)20-15-9-12(19)5-7-16(15)21(2)3/h4-10,20H,1-3H3
InChIKeyOWPHWUGPLQXGGA-UHFFFAOYSA-N
MW432.59 g/mol
LogP6.10
Rot. Bonds4

About 4-chloro-2-N-[1-(2,4-dibromophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine

4-chloro-2-N-[1-(2,4-dibromophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine (PubChem CID 60782071) has the molecular formula C16H17Br2ClN2 and a molecular weight of 432.59 g/mol. Its IUPAC name is 4-chloro-2-N-[1-(2,4-dibromophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-2-N-[1-(2,4-dibromophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
PubChem CID60782071
Molecular FormulaC16H17Br2ClN2
Molecular Weight432.59 g/mol
Exact Mass429.94
IUPAC Name4-chloro-2-N-[1-(2,4-dibromophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCC(Nc1cc(Cl)ccc1N(C)C)c1ccc(Br)cc1Br
InChIInChI=1S/C16H17Br2ClN2/c1-10(13-6-4-11(17)8-14(13)18)20-15-9-12(19)5-7-16(15)21(2)3/h4-10,20H,1-3H3
InChIKeyOWPHWUGPLQXGGA-UHFFFAOYSA-N
XLogP6.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.59
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-2-N-[1-(2,4-dibromophenyl)ethyl]-1-N,1-N-dimethylbenzene-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

4-chloro-2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43790062
5-chloro-N-[1-(2,4-dibromophenyl)ethyl]-2-nitroaniline
CID 60781803
2-[1-[5-chloro-2-(dimethylamino)anilino]ethyl]phenol
CID 43741167
2,4-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43683199
4-chloro-2-N-[1-(2,5-dimethylphenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43741051
1-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 82773923
4-bromo-N-[1-(2,4-dibromophenyl)ethyl]-2-fluoroaniline
CID 60781277
4-bromo-2-chloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43347271
4-chloro-N-[1-(2,4-dibromophenyl)ethyl]pyridin-3-amine
CID 83167167
5-bromo-2-chloro-N-[1-(2,5-dichlorophenyl)ethyl]aniline
CID 63478769
2,4,6-tribromo-N-[1-(2,4-dibromophenyl)ethyl]aniline
CID 63425379
2-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]benzene-1,3-diol
CID 107710730

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-N-[1-(2,4-dibromophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 4-chloro-2-N-[1-(2,4-dibromophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine (CID 60782071) is 4-chloro-2-N-[1-(2,4-dibromophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 4-chloro-2-N-[1-(2,4-dibromophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 4-chloro-2-N-[1-(2,4-dibromophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine is CC(Nc1cc(Cl)ccc1N(C)C)c1ccc(Br)cc1Br.
What is the InChIKey of 4-chloro-2-N-[1-(2,4-dibromophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
The InChIKey is OWPHWUGPLQXGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2ClN2/c1-10(13-6-4-11(17)8-14(13)18)20-15-9-12(19)5-7-16(15)21(2)3/h4-10,20H,1-3H3.
What are the key properties of 4-chloro-2-N-[1-(2,4-dibromophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
4-chloro-2-N-[1-(2,4-dibromophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine has a molecular weight of 432.59 g/mol, XLogP of 6.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-N-[1-(2,4-dibromophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 60782071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).