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

C16H17Cl2FN2 — CID 43790062

IUPAC4-chloro-2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCC(Nc1cc(Cl)ccc1N(C)C)c1ccc(F)cc1Cl
InChIInChI=1S/C16H17Cl2FN2/c1-10(13-6-5-12(19)9-14(13)18)20-15-8-11(17)4-7-16(15)21(2)3/h4-10,20H,1-3H3
InChIKeyVYLBCXUMRMHSEY-UHFFFAOYSA-N
MW327.23 g/mol
LogP5.37
Rot. Bonds4

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

4-chloro-2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine (PubChem CID 43790062) has the molecular formula C16H17Cl2FN2 and a molecular weight of 327.23 g/mol. Its IUPAC name is 4-chloro-2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
PubChem CID43790062
Molecular FormulaC16H17Cl2FN2
Molecular Weight327.23 g/mol
Exact Mass326.08
IUPAC Name4-chloro-2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCC(Nc1cc(Cl)ccc1N(C)C)c1ccc(F)cc1Cl
InChIInChI=1S/C16H17Cl2FN2/c1-10(13-6-5-12(19)9-14(13)18)20-15-8-11(17)4-7-16(15)21(2)3/h4-10,20H,1-3H3
InChIKeyVYLBCXUMRMHSEY-UHFFFAOYSA-N
XLogP5.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.23
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-2-N-[1-(2-chloro-4-fluorophenyl)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-(2,4-dibromophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 60782071
2-[1-[5-chloro-2-(dimethylamino)anilino]ethyl]phenol
CID 43741167
4-chloro-2-N-[1-(2,5-dimethylphenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43741051
2-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-5-fluoroaniline
CID 107633412
2,4,6-trichloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline
CID 43773688
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methylaniline
CID 43766127
2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methylaniline
CID 43772675
2-[1-(2,4-dichlorophenyl)ethylamino]-5-fluorobenzenecarbothioamide
CID 63674541
2-bromo-3-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline
CID 103478123
5-chloro-2-fluoro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline
CID 43775999
1-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 82773923
2-chloro-4-N-[1-(2,5-dichlorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 63450910

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 4-chloro-2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine (CID 43790062) is 4-chloro-2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 4-chloro-2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 4-chloro-2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine is CC(Nc1cc(Cl)ccc1N(C)C)c1ccc(F)cc1Cl.
What is the InChIKey of 4-chloro-2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
The InChIKey is VYLBCXUMRMHSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2FN2/c1-10(13-6-5-12(19)9-14(13)18)20-15-8-11(17)4-7-16(15)21(2)3/h4-10,20H,1-3H3.
What are the key properties of 4-chloro-2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine?
4-chloro-2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine has a molecular weight of 327.23 g/mol, XLogP of 5.37, 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-chloro-4-fluorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 43790062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).