o-Tolidine

C14H16N2 — CID 8413

IUPAC4-(4-amino-3-methylphenyl)-2-methylaniline
SMILESCC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N
InChIInChI=1S/C14H16N2/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12/h3-8H,15-16H2,1-2H3
InChIKeyNUIURNJTPRWVAP-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.30
Rot. Bonds1

About o-Tolidine

o-Tolidine (PubChem CID 8413) has the molecular formula C14H16N2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-(4-amino-3-methylphenyl)-2-methylaniline.

Molecular Properties

Compound Nameo-Tolidine
PubChem CID8413
Molecular FormulaC14H16N2
Molecular Weight212.29 g/mol
Exact Mass212.13
IUPAC Name4-(4-amino-3-methylphenyl)-2-methylaniline
SMILESCC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N
InChIInChI=1S/C14H16N2/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12/h3-8H,15-16H2,1-2H3
InChIKeyNUIURNJTPRWVAP-UHFFFAOYSA-N
XLogP2.30
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity205

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze o-Tolidine 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

O-Toluidine
CID 7242
4,4-Diaminodiphenylmethane
CID 7577
p-Toluidine
CID 7813
Benzidine
CID 7111
2,4-Dimethylaniline
CID 7250
4-Aminobiphenyl
CID 7102
2-Aminobiphenyl
CID 7015
2,4,5-Trimethylaniline
CID 8717
Magenta Base
CID 12448
4-Isopropylaniline
CID 7464
2,6-Dimethylaniline
CID 6896
Pararosaniline Hydrochloride
CID 11292

Frequently Asked Questions

What is the IUPAC name of o-Tolidine?
The IUPAC name of o-Tolidine (CID 8413) is 4-(4-amino-3-methylphenyl)-2-methylaniline.
What is the SMILES notation for o-Tolidine?
The canonical SMILES for o-Tolidine is CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N.
What is the InChIKey of o-Tolidine?
The InChIKey is NUIURNJTPRWVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12/h3-8H,15-16H2,1-2H3.
What are the key properties of o-Tolidine?
o-Tolidine has a molecular weight of 212.29 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for o-Tolidine is sourced from PubChem (CID 8413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).