4-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-methylbenzene-1,2-diamine

C11H18ClN3 — CID 115468988

IUPAC4-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-methylbenzene-1,2-diamine
SMILESCN(C)CCN(C)c1cc(Cl)ccc1N
InChIInChI=1S/C11H18ClN3/c1-14(2)6-7-15(3)11-8-9(12)4-5-10(11)13/h4-5,8H,6-7,13H2,1-3H3
InChIKeyPEGASVAHWGBPKI-UHFFFAOYSA-N
MW227.74 g/mol
LogP1.92
Rot. Bonds4

About 4-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-methylbenzene-1,2-diamine

4-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-methylbenzene-1,2-diamine (PubChem CID 115468988) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 4-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-methylbenzene-1,2-diamine
PubChem CID115468988
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name4-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-methylbenzene-1,2-diamine
SMILESCN(C)CCN(C)c1cc(Cl)ccc1N
InChIInChI=1S/C11H18ClN3/c1-14(2)6-7-15(3)11-8-9(12)4-5-10(11)13/h4-5,8H,6-7,13H2,1-3H3
InChIKeyPEGASVAHWGBPKI-UHFFFAOYSA-N
XLogP1.92
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-methylbenzene-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-1-N-[2-(dimethylamino)ethyl]-1-N-methylbenzene-1,2-diamine
CID 63695139
4-(2-amino-5-chloro-N-methylanilino)-2-methylbutan-2-ol
CID 107466176
2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-methylbenzene-1,2-diamine
CID 63693587
4-chloro-2-N-methyl-2-N-(3-phenylpropyl)benzene-1,2-diamine
CID 115468658
4-chloro-2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylbenzene-1,2-diamine
CID 143265402
4-chloro-2-N-[3-(dimethylamino)propyl]-2-N-ethylbenzene-1,2-diamine
CID 102991096
2-(2-amino-5-chloro-N-methylanilino)-N,N-dimethylacetamide
CID 115468609
4-chloro-2-N-[(2,6-difluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine
CID 107466040
4-chloro-2-N-methyl-2-N-(pyrimidin-2-ylmethyl)benzene-1,2-diamine
CID 107466001
4-chloro-2-N-(3-imidazol-1-ylpropyl)-2-N-methylbenzene-1,2-diamine
CID 107466060
5-chloro-2-[2-(dimethylamino)ethyl-methylamino]benzonitrile
CID 63693164
2-(2-amino-5-chloro-N-methylanilino)-N-ethyl-N-methylacetamide
CID 107466016

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-methylbenzene-1,2-diamine?
The IUPAC name of 4-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-methylbenzene-1,2-diamine (CID 115468988) is 4-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 4-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-methylbenzene-1,2-diamine?
The canonical SMILES for 4-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-methylbenzene-1,2-diamine is CN(C)CCN(C)c1cc(Cl)ccc1N.
What is the InChIKey of 4-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-methylbenzene-1,2-diamine?
The InChIKey is PEGASVAHWGBPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-14(2)6-7-15(3)11-8-9(12)4-5-10(11)13/h4-5,8H,6-7,13H2,1-3H3.
What are the key properties of 4-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-methylbenzene-1,2-diamine?
4-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-methylbenzene-1,2-diamine has a molecular weight of 227.74 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 115468988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).