2-chlorobenzene-1,3-diamine;dihydrochloride

C6H9Cl3N2 — CID 141430940

IUPAC2-chlorobenzene-1,3-diamine;dihydrochloride
SMILESCl.Cl.Nc1cccc(N)c1Cl
InChIInChI=1S/C6H7ClN2.2ClH/c7-6-4(8)2-1-3-5(6)9;;/h1-3H,8-9H2;2*1H
InChIKeyQOBSNVIDGKBXEU-UHFFFAOYSA-N
MW215.51 g/mol
LogP2.35
Rot. Bonds

About 2-chlorobenzene-1,3-diamine;dihydrochloride

2-chlorobenzene-1,3-diamine;dihydrochloride (PubChem CID 141430940) has the molecular formula C6H9Cl3N2 and a molecular weight of 215.51 g/mol. Its IUPAC name is 2-chlorobenzene-1,3-diamine;dihydrochloride.

Molecular Properties

Compound Name2-chlorobenzene-1,3-diamine;dihydrochloride
PubChem CID141430940
Molecular FormulaC6H9Cl3N2
Molecular Weight215.51 g/mol
Exact Mass213.98
IUPAC Name2-chlorobenzene-1,3-diamine;dihydrochloride
SMILESCl.Cl.Nc1cccc(N)c1Cl
InChIInChI=1S/C6H7ClN2.2ClH/c7-6-4(8)2-1-3-5(6)9;;/h1-3H,8-9H2;2*1H
InChIKeyQOBSNVIDGKBXEU-UHFFFAOYSA-N
XLogP2.35
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.51
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chlorobenzene-1,3-diamine;dihydrochloride 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

3-(aminomethyl)-2-chloroaniline
CID 69499181
2-chloro-3-(2,3,4-trichlorophenyl)aniline
CID 134624040
2-chloro-3-(3-methylbutan-2-yl)aniline
CID 155447966
2-chloro-3-(2,2,2-trifluoroethyl)aniline
CID 175132449
2-chloro-3-propan-2-yloxyaniline
CID 67383327
2-methylsulfanylbenzene-1,3-diamine;dihydrochloride
CID 19708062
3-chloro-2-methoxyaniline;hydrochloride
CID 17233805
(3-amino-2-chlorophenyl)sulfamic acid
CID 57275519
benzene-1,2-diamine;hydrogen peroxide;hydrochloride
CID 175004407
CID 175440029
CID 175440029
2-chloro-3-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diamine
CID 125427077
1-(3-amino-2-chlorophenyl)-3-bromopropan-2-one
CID 118854801

Frequently Asked Questions

What is the IUPAC name of 2-chlorobenzene-1,3-diamine;dihydrochloride?
The IUPAC name of 2-chlorobenzene-1,3-diamine;dihydrochloride (CID 141430940) is 2-chlorobenzene-1,3-diamine;dihydrochloride.
What is the SMILES notation for 2-chlorobenzene-1,3-diamine;dihydrochloride?
The canonical SMILES for 2-chlorobenzene-1,3-diamine;dihydrochloride is Cl.Cl.Nc1cccc(N)c1Cl.
What is the InChIKey of 2-chlorobenzene-1,3-diamine;dihydrochloride?
The InChIKey is QOBSNVIDGKBXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2.2ClH/c7-6-4(8)2-1-3-5(6)9;;/h1-3H,8-9H2;2*1H.
What are the key properties of 2-chlorobenzene-1,3-diamine;dihydrochloride?
2-chlorobenzene-1,3-diamine;dihydrochloride has a molecular weight of 215.51 g/mol, XLogP of 2.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorobenzene-1,3-diamine;dihydrochloride is sourced from PubChem (CID 141430940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).