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

C16H18BrClN2 — CID 82773923

IUPAC1-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCC(Nc1ccccc1N(C)C)c1ccc(Br)cc1Cl
InChIInChI=1S/C16H18BrClN2/c1-11(13-9-8-12(17)10-14(13)18)19-15-6-4-5-7-16(15)20(2)3/h4-11,19H,1-3H3
InChIKeySEHYOGSXYBHQCV-UHFFFAOYSA-N
MW353.69 g/mol
LogP5.34
Rot. Bonds4

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

1-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 82773923) has the molecular formula C16H18BrClN2 and a molecular weight of 353.69 g/mol. Its IUPAC name is 1-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID82773923
Molecular FormulaC16H18BrClN2
Molecular Weight353.69 g/mol
Exact Mass352.03
IUPAC Name1-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCC(Nc1ccccc1N(C)C)c1ccc(Br)cc1Cl
InChIInChI=1S/C16H18BrClN2/c1-11(13-9-8-12(17)10-14(13)18)19-15-6-4-5-7-16(15)20(2)3/h4-11,19H,1-3H3
InChIKeySEHYOGSXYBHQCV-UHFFFAOYSA-N
XLogP5.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.69
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-N,2-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-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-chloroaniline
CID 82773321
2,5-dibromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]aniline
CID 82774723
4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylaniline
CID 82774797
4-chloro-2-N-[1-(2,4-dibromophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 60782071
4-bromo-2-chloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43347271
3-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-(methoxymethyl)aniline
CID 82778375
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,5-dichloroaniline
CID 82774360
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,5-dimethylaniline
CID 82774709
4-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylaniline
CID 43082336
2,4-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43683199
1-N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 83069930
4-chloro-2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43790062

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 1-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine (CID 82773923) is 1-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 1-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine is CC(Nc1ccccc1N(C)C)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is SEHYOGSXYBHQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrClN2/c1-11(13-9-8-12(17)10-14(13)18)19-15-6-4-5-7-16(15)20(2)3/h4-11,19H,1-3H3.
What are the key properties of 1-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine?
1-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine has a molecular weight of 353.69 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 82773923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).