Dimethyl-p-toluidine

C9H13N — CID 7471

IUPACN,N,4-trimethylaniline
SMILESCC1=CC=C(C=C1)N(C)C
InChIInChI=1S/C9H13N/c1-8-4-6-9(7-5-8)10(2)3/h4-7H,1-3H3
InChIKeyGYVGXEWAOAAJEU-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.80
Rot. Bonds1

About Dimethyl-p-toluidine

Dimethyl-p-toluidine (PubChem CID 7471) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is N,N,4-trimethylaniline.

Molecular Properties

Compound NameDimethyl-p-toluidine
PubChem CID7471
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC NameN,N,4-trimethylaniline
SMILESCC1=CC=C(C=C1)N(C)C
InChIInChI=1S/C9H13N/c1-8-4-6-9(7-5-8)10(2)3/h4-7H,1-3H3
InChIKeyGYVGXEWAOAAJEU-UHFFFAOYSA-N
XLogP2.80
TPSA3.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity90

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze Dimethyl-p-toluidine 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

N,N-Dimethylaniline
CID 949
Leucomalachite green
CID 67215
Bis(p-(dimethylamino)phenyl)methane
CID 7567
Leucocrystal Violet
CID 69048
N,N-Diethylaniline
CID 7061
N,N,N',N'-tetramethyl-p-phenylenediamine
CID 7490
N,N-Dimethyl-4-[2-(3-methylphenyl)diazenyl]benzenamine
CID 5934
Trimethylphenylammonium iodide
CID 94135
N-ethyl-3-methylaniline
CID 7603
4-Ethylaniline
CID 11504
4-Butylaniline
CID 7694
4-Propylaniline
CID 75908

Frequently Asked Questions

What is the IUPAC name of Dimethyl-p-toluidine?
The IUPAC name of Dimethyl-p-toluidine (CID 7471) is N,N,4-trimethylaniline.
What is the SMILES notation for Dimethyl-p-toluidine?
The canonical SMILES for Dimethyl-p-toluidine is CC1=CC=C(C=C1)N(C)C.
What is the InChIKey of Dimethyl-p-toluidine?
The InChIKey is GYVGXEWAOAAJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-8-4-6-9(7-5-8)10(2)3/h4-7H,1-3H3.
What are the key properties of Dimethyl-p-toluidine?
Dimethyl-p-toluidine has a molecular weight of 135.21 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Dimethyl-p-toluidine is sourced from PubChem (CID 7471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).