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

C12H20ClN3 — CID 143265402

IUPAC4-chloro-2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylbenzene-1,2-diamine
SMILESCNc1ccc(Cl)cc1N(C)CCN(C)C
InChIInChI=1S/C12H20ClN3/c1-14-11-6-5-10(13)9-12(11)16(4)8-7-15(2)3/h5-6,9,14H,7-8H2,1-4H3
InChIKeyLJEYJFLIGAJLOP-UHFFFAOYSA-N
MW241.77 g/mol
LogP2.38
Rot. Bonds5

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

4-chloro-2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 143265402) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is 4-chloro-2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID143265402
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC Name4-chloro-2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylbenzene-1,2-diamine
SMILESCNc1ccc(Cl)cc1N(C)CCN(C)C
InChIInChI=1S/C12H20ClN3/c1-14-11-6-5-10(13)9-12(11)16(4)8-7-15(2)3/h5-6,9,14H,7-8H2,1-4H3
InChIKeyLJEYJFLIGAJLOP-UHFFFAOYSA-N
XLogP2.38
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-methylbenzene-1,2-diamine
CID 115468988
4-chloro-1-N-[2-(dimethylamino)ethyl]-1-N-methylbenzene-1,2-diamine
CID 63695139
5-chloro-2-[2-(dimethylamino)ethyl-methylamino]benzonitrile
CID 63693164
N'-[5-chloro-2-(propylaminomethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 114851389
4-chloro-1-N,2-N-dimethylbenzene-1,2-diamine
CID 12589570
2-N-[2-(dimethylamino)ethyl]-4-fluoro-1-N-iodo-2-N-methylbenzene-1,2-diamine
CID 155016597
2,4-dichloro-N-methylaniline
CID 2800935
N-(5-chloro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28562912
3-[2,5-dichloro-N-[2-(dimethylamino)ethyl]anilino]propanoic acid
CID 82319825
N'-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 78948201
N'-(5-chloro-2-methylphenyl)-N'-methylpropane-1,3-diamine
CID 28772754
4-N-[2-(dimethylamino)ethyl]-1-N,4-N-dimethylbenzene-1,4-diamine
CID 117029041

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 4-chloro-2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylbenzene-1,2-diamine (CID 143265402) is 4-chloro-2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 4-chloro-2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 4-chloro-2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylbenzene-1,2-diamine is CNc1ccc(Cl)cc1N(C)CCN(C)C.
What is the InChIKey of 4-chloro-2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is LJEYJFLIGAJLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-14-11-6-5-10(13)9-12(11)16(4)8-7-15(2)3/h5-6,9,14H,7-8H2,1-4H3.
What are the key properties of 4-chloro-2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylbenzene-1,2-diamine?
4-chloro-2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylbenzene-1,2-diamine has a molecular weight of 241.77 g/mol, XLogP of 2.38, 5 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]-1-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 143265402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).