2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine;hydrochloride

C8H12Cl2N2 — CID 21156022

IUPAC2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine;hydrochloride
SMILESCN(C)c1ccc(N)cc1Cl.Cl
InChIInChI=1S/C8H11ClN2.ClH/c1-11(2)8-4-3-6(10)5-7(8)9;/h3-5H,10H2,1-2H3;1H
InChIKeyRBBVDWIZAVVJTJ-UHFFFAOYSA-N
MW207.10 g/mol
LogP2.41
Rot. Bonds1

About 2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine;hydrochloride

2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine;hydrochloride (PubChem CID 21156022) has the molecular formula C8H12Cl2N2 and a molecular weight of 207.10 g/mol. Its IUPAC name is 2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine;hydrochloride.

Molecular Properties

Compound Name2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine;hydrochloride
PubChem CID21156022
Molecular FormulaC8H12Cl2N2
Molecular Weight207.10 g/mol
Exact Mass206.04
IUPAC Name2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine;hydrochloride
SMILESCN(C)c1ccc(N)cc1Cl.Cl
InChIInChI=1S/C8H11ClN2.ClH/c1-11(2)8-4-3-6(10)5-7(8)9;/h3-5H,10H2,1-2H3;1H
InChIKeyRBBVDWIZAVVJTJ-UHFFFAOYSA-N
XLogP2.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.10
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine;hydrochloride?
The IUPAC name of 2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine;hydrochloride (CID 21156022) is 2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine;hydrochloride.
What is the SMILES notation for 2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine;hydrochloride?
The canonical SMILES for 2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine;hydrochloride is CN(C)c1ccc(N)cc1Cl.Cl.
What is the InChIKey of 2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine;hydrochloride?
The InChIKey is RBBVDWIZAVVJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2.ClH/c1-11(2)8-4-3-6(10)5-7(8)9;/h3-5H,10H2,1-2H3;1H.
What are the key properties of 2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine;hydrochloride?
2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine;hydrochloride has a molecular weight of 207.10 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine;hydrochloride is sourced from PubChem (CID 21156022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).