3,5-dichloro-2-N,2-N-dimethylbenzene-1,2-diamine

C8H10Cl2N2 — CID 30029896

IUPAC3,5-dichloro-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C8H10Cl2N2/c1-12(2)8-6(10)3-5(9)4-7(8)11/h3-4H,11H2,1-2H3
InChIKeyVROWZZUXTOGBRI-UHFFFAOYSA-N
MW205.09 g/mol
LogP2.64
Rot. Bonds1

About 3,5-dichloro-2-N,2-N-dimethylbenzene-1,2-diamine

3,5-dichloro-2-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 30029896) has the molecular formula C8H10Cl2N2 and a molecular weight of 205.09 g/mol. Its IUPAC name is 3,5-dichloro-2-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name3,5-dichloro-2-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID30029896
Molecular FormulaC8H10Cl2N2
Molecular Weight205.09 g/mol
Exact Mass204.02
IUPAC Name3,5-dichloro-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C8H10Cl2N2/c1-12(2)8-6(10)3-5(9)4-7(8)11/h3-4H,11H2,1-2H3
InChIKeyVROWZZUXTOGBRI-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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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 3,5-dichloro-2-N,2-N-dimethylbenzene-1,2-diamine (CID 30029896) is 3,5-dichloro-2-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 3,5-dichloro-2-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 3,5-dichloro-2-N,2-N-dimethylbenzene-1,2-diamine is CN(C)c1c(N)cc(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-2-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is VROWZZUXTOGBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2/c1-12(2)8-6(10)3-5(9)4-7(8)11/h3-4H,11H2,1-2H3.
What are the key properties of 3,5-dichloro-2-N,2-N-dimethylbenzene-1,2-diamine?
3,5-dichloro-2-N,2-N-dimethylbenzene-1,2-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 3,5-dichloro-2-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 30029896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).