2,4-dichloro-1-N,1-N-dimethylbenzene-1,3-diamine

C8H10Cl2N2 — CID 130018341

IUPAC2,4-dichloro-1-N,1-N-dimethylbenzene-1,3-diamine
SMILESCN(C)c1ccc(Cl)c(N)c1Cl
InChIInChI=1S/C8H10Cl2N2/c1-12(2)6-4-3-5(9)8(11)7(6)10/h3-4H,11H2,1-2H3
InChIKeyIFUFOHYERQMJQH-UHFFFAOYSA-N
MW205.09 g/mol
LogP2.64
Rot. Bonds1

About 2,4-dichloro-1-N,1-N-dimethylbenzene-1,3-diamine

2,4-dichloro-1-N,1-N-dimethylbenzene-1,3-diamine (PubChem CID 130018341) has the molecular formula C8H10Cl2N2 and a molecular weight of 205.09 g/mol. Its IUPAC name is 2,4-dichloro-1-N,1-N-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name2,4-dichloro-1-N,1-N-dimethylbenzene-1,3-diamine
PubChem CID130018341
Molecular FormulaC8H10Cl2N2
Molecular Weight205.09 g/mol
Exact Mass204.02
IUPAC Name2,4-dichloro-1-N,1-N-dimethylbenzene-1,3-diamine
SMILESCN(C)c1ccc(Cl)c(N)c1Cl
InChIInChI=1S/C8H10Cl2N2/c1-12(2)6-4-3-5(9)8(11)7(6)10/h3-4H,11H2,1-2H3
InChIKeyIFUFOHYERQMJQH-UHFFFAOYSA-N
XLogP2.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.09
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-1-N-[2-(dimethylamino)phenyl]benzene-1,2-diamine
CID 106759458
1-(3-amino-2,4-dichlorophenyl)ethanol
CID 19833113
2-chloro-N,N,4-trimethylaniline
CID 4099980
1-N,1-N,2,4-tetramethylbenzene-1,3-diamine
CID 66717231
3-chloro-6-iodobenzene-1,2-diamine
CID 98041765
6-[amino(methyl)amino]-3-bromo-2-chloroaniline
CID 144867341
4-chloro-3-(dimethylamino)benzenethiol
CID 130120559
3,6-dichloro-2-propan-2-ylaniline
CID 21336280
3,6-dichloro-2-fluoroaniline
CID 46737655
3-amino-2,4-dichloro-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide
CID 106333613
1-chloro-4-(dimethylamino)anthracene-9,10-dione
CID 14225856
5-amino-6-(dimethylamino)-1,4-benzodioxine-2,3-dione
CID 141240089

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-N,1-N-dimethylbenzene-1,3-diamine?
The IUPAC name of 2,4-dichloro-1-N,1-N-dimethylbenzene-1,3-diamine (CID 130018341) is 2,4-dichloro-1-N,1-N-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 2,4-dichloro-1-N,1-N-dimethylbenzene-1,3-diamine?
The canonical SMILES for 2,4-dichloro-1-N,1-N-dimethylbenzene-1,3-diamine is CN(C)c1ccc(Cl)c(N)c1Cl.
What is the InChIKey of 2,4-dichloro-1-N,1-N-dimethylbenzene-1,3-diamine?
The InChIKey is IFUFOHYERQMJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2/c1-12(2)6-4-3-5(9)8(11)7(6)10/h3-4H,11H2,1-2H3.
What are the key properties of 2,4-dichloro-1-N,1-N-dimethylbenzene-1,3-diamine?
2,4-dichloro-1-N,1-N-dimethylbenzene-1,3-diamine has a molecular weight of 205.09 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-N,1-N-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 130018341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).