4-bromo-1-N-[2-(2,4-dichlorophenyl)ethyl]benzene-1,2-diamine

C14H13BrCl2N2 — CID 28903733

IUPAC4-bromo-1-N-[2-(2,4-dichlorophenyl)ethyl]benzene-1,2-diamine
SMILESNc1cc(Br)ccc1NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13BrCl2N2/c15-10-2-4-14(13(18)7-10)19-6-5-9-1-3-11(16)8-12(9)17/h1-4,7-8,19H,5-6,18H2
InChIKeyXDZTVXVQRSVVTJ-UHFFFAOYSA-N
MW360.08 g/mol
LogP4.99
Rot. Bonds4

About 4-bromo-1-N-[2-(2,4-dichlorophenyl)ethyl]benzene-1,2-diamine

4-bromo-1-N-[2-(2,4-dichlorophenyl)ethyl]benzene-1,2-diamine (PubChem CID 28903733) has the molecular formula C14H13BrCl2N2 and a molecular weight of 360.08 g/mol. Its IUPAC name is 4-bromo-1-N-[2-(2,4-dichlorophenyl)ethyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-1-N-[2-(2,4-dichlorophenyl)ethyl]benzene-1,2-diamine
PubChem CID28903733
Molecular FormulaC14H13BrCl2N2
Molecular Weight360.08 g/mol
Exact Mass357.96
IUPAC Name4-bromo-1-N-[2-(2,4-dichlorophenyl)ethyl]benzene-1,2-diamine
SMILESNc1cc(Br)ccc1NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13BrCl2N2/c15-10-2-4-14(13(18)7-10)19-6-5-9-1-3-11(16)8-12(9)17/h1-4,7-8,19H,5-6,18H2
InChIKeyXDZTVXVQRSVVTJ-UHFFFAOYSA-N
XLogP4.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.08
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-bromo-1-N-[2-(2,4-dichlorophenyl)ethyl]benzene-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-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-2-nitroaniline
CID 29033812
1-N-[2-(2,4-dichlorophenyl)ethyl]-4-fluoro-5-methoxybenzene-1,2-diamine
CID 63598163
4-amino-3-[2-(2,4-dichlorophenyl)ethylamino]benzonitrile
CID 104711386
4-bromo-1-N-(2-phenylethyl)benzene-1,2-diamine
CID 28903831
5-amino-2-[2-(2,4-dichlorophenyl)ethylamino]benzoic acid
CID 60988922
N-[(4-bromophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209550
3-chloro-4-[2-(2,4-dichlorophenyl)ethylamino]benzonitrile
CID 63511428
1-N-[2-(5-bromothiophen-2-yl)ethyl]-4-chlorobenzene-1,2-diamine
CID 106037358
2-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylpyridine-2,5-diamine
CID 79172913
1-N-[(4-bromophenyl)methyl]-4-chlorobenzene-1,2-diamine
CID 14953000
4-bromo-1-N-[2-(furan-2-yl)ethyl]benzene-1,2-diamine
CID 61469654
4-bromo-1-N-(5-chloro-2-methylphenyl)benzene-1,2-diamine
CID 29067533

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-N-[2-(2,4-dichlorophenyl)ethyl]benzene-1,2-diamine?
The IUPAC name of 4-bromo-1-N-[2-(2,4-dichlorophenyl)ethyl]benzene-1,2-diamine (CID 28903733) is 4-bromo-1-N-[2-(2,4-dichlorophenyl)ethyl]benzene-1,2-diamine.
What is the SMILES notation for 4-bromo-1-N-[2-(2,4-dichlorophenyl)ethyl]benzene-1,2-diamine?
The canonical SMILES for 4-bromo-1-N-[2-(2,4-dichlorophenyl)ethyl]benzene-1,2-diamine is Nc1cc(Br)ccc1NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-bromo-1-N-[2-(2,4-dichlorophenyl)ethyl]benzene-1,2-diamine?
The InChIKey is XDZTVXVQRSVVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrCl2N2/c15-10-2-4-14(13(18)7-10)19-6-5-9-1-3-11(16)8-12(9)17/h1-4,7-8,19H,5-6,18H2.
What are the key properties of 4-bromo-1-N-[2-(2,4-dichlorophenyl)ethyl]benzene-1,2-diamine?
4-bromo-1-N-[2-(2,4-dichlorophenyl)ethyl]benzene-1,2-diamine has a molecular weight of 360.08 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-N-[2-(2,4-dichlorophenyl)ethyl]benzene-1,2-diamine is sourced from PubChem (CID 28903733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).