3,4-dimethylaniline

C8H11N — CID 7248

IUPAC3,4-dimethylaniline
SMILESCc1ccc(N)cc1C
InChIInChI=1S/C8H11N/c1-6-3-4-8(9)5-7(6)2/h3-5H,9H2,1-2H3
InChIKeyDOLQYFPDPKPQSS-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.89
Rot. Bonds

About 3,4-dimethylaniline

3,4-dimethylaniline (PubChem CID 7248) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 3,4-dimethylaniline.

Molecular Properties

Compound Name3,4-dimethylaniline
PubChem CID7248
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name3,4-dimethylaniline
SMILESCc1ccc(N)cc1C
InChIInChI=1S/C8H11N/c1-6-3-4-8(9)5-7(6)2/h3-5H,9H2,1-2H3
InChIKeyDOLQYFPDPKPQSS-UHFFFAOYSA-N
XLogP1.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylaniline?
The IUPAC name of 3,4-dimethylaniline (CID 7248) is 3,4-dimethylaniline.
What is the SMILES notation for 3,4-dimethylaniline?
The canonical SMILES for 3,4-dimethylaniline is Cc1ccc(N)cc1C.
What is the InChIKey of 3,4-dimethylaniline?
The InChIKey is DOLQYFPDPKPQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-6-3-4-8(9)5-7(6)2/h3-5H,9H2,1-2H3.
What are the key properties of 3,4-dimethylaniline?
3,4-dimethylaniline has a molecular weight of 121.18 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylaniline is sourced from PubChem (CID 7248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).