2,3-dimethylbenzene-1,4-diamine;oxalic acid

C10H14N2O4 — CID 70167322

IUPAC2,3-dimethylbenzene-1,4-diamine;oxalic acid
SMILESCc1c(N)ccc(N)c1C.O=C(O)C(=O)O
InChIInChI=1S/C8H12N2.C2H2O4/c1-5-6(2)8(10)4-3-7(5)9;3-1(4)2(5)6/h3-4H,9-10H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyLVCVPPWOGBTGMO-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.62
Rot. Bonds

About 2,3-dimethylbenzene-1,4-diamine;oxalic acid

2,3-dimethylbenzene-1,4-diamine;oxalic acid (PubChem CID 70167322) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2,3-dimethylbenzene-1,4-diamine;oxalic acid.

Molecular Properties

Compound Name2,3-dimethylbenzene-1,4-diamine;oxalic acid
PubChem CID70167322
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2,3-dimethylbenzene-1,4-diamine;oxalic acid
SMILESCc1c(N)ccc(N)c1C.O=C(O)C(=O)O
InChIInChI=1S/C8H12N2.C2H2O4/c1-5-6(2)8(10)4-3-7(5)9;3-1(4)2(5)6/h3-4H,9-10H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyLVCVPPWOGBTGMO-UHFFFAOYSA-N
XLogP0.62
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,3-dimethylbenzene-1,4-diamine;oxalic acid 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

methanesulfonic acid;2,3,4-trimethylaniline
CID 173451670
methyl N-(3-amino-2,6-dimethylphenyl)carbamate
CID 19857501
propan-2-yl 4-amino-2,3-dimethylbenzoate
CID 174509771
sodium;4-(4-amino-2,3-dimethylphenyl)-2,3-dimethylaniline;hydride
CID 173092762
6-amino-3-bromo-2-methylbenzoic acid
CID 15885809
(3-amino-2,6-dimethylphenyl)urea
CID 19820899
benzene-1,4-dicarboxamide;2,4-dimethylbenzene-1,3-diamine
CID 70386700
4-benzyl-2,3-dimethylaniline;2,2,2-trifluoroacetic acid
CID 173031440
4-amino-3-(hydroxymethyl)-2-methylbenzoic acid
CID 70595646
4-(4-amino-2,3-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171899234
3-amino-2,6-dimethylphenol;hydrochloride
CID 21322807
4-methoxy-2,3-dimethylaniline
CID 11094809

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbenzene-1,4-diamine;oxalic acid?
The IUPAC name of 2,3-dimethylbenzene-1,4-diamine;oxalic acid (CID 70167322) is 2,3-dimethylbenzene-1,4-diamine;oxalic acid.
What is the SMILES notation for 2,3-dimethylbenzene-1,4-diamine;oxalic acid?
The canonical SMILES for 2,3-dimethylbenzene-1,4-diamine;oxalic acid is Cc1c(N)ccc(N)c1C.O=C(O)C(=O)O.
What is the InChIKey of 2,3-dimethylbenzene-1,4-diamine;oxalic acid?
The InChIKey is LVCVPPWOGBTGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.C2H2O4/c1-5-6(2)8(10)4-3-7(5)9;3-1(4)2(5)6/h3-4H,9-10H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 2,3-dimethylbenzene-1,4-diamine;oxalic acid?
2,3-dimethylbenzene-1,4-diamine;oxalic acid has a molecular weight of 226.23 g/mol, XLogP of 0.62, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbenzene-1,4-diamine;oxalic acid is sourced from PubChem (CID 70167322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).