2,6-Dimethylaniline

C8H11N — CID 6896

IUPAC2,6-dimethylaniline
SMILESCC1=C(C(=CC=C1)C)N
InChIInChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3
InChIKeyUFFBMTHBGFGIHF-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.80
Rot. Bonds

About 2,6-Dimethylaniline

2,6-Dimethylaniline (PubChem CID 6896) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 2,6-dimethylaniline.

Molecular Properties

Compound Name2,6-Dimethylaniline
PubChem CID6896
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name2,6-dimethylaniline
SMILESCC1=C(C(=CC=C1)C)N
InChIInChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3
InChIKeyUFFBMTHBGFGIHF-UHFFFAOYSA-N
XLogP1.80
TPSA26.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity80

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

O-Toluidine
CID 7242
o-Tolidine
CID 8413
p-Toluidine
CID 7813
2,4-Dimethylaniline
CID 7250
2,6-Diaminotoluene
CID 13205
2,5-Diaminotoluene
CID 7252
2-Aminobiphenyl
CID 7015
3,5-Dimethylaniline
CID 7949
2,5-Dimethylaniline
CID 7259
m-Toluidine
CID 7934
4-Isopropylaniline
CID 7464
2-Toluidine hydrochloride
CID 12484

Frequently Asked Questions

What is the IUPAC name of 2,6-Dimethylaniline?
The IUPAC name of 2,6-Dimethylaniline (CID 6896) is 2,6-dimethylaniline.
What is the SMILES notation for 2,6-Dimethylaniline?
The canonical SMILES for 2,6-Dimethylaniline is CC1=C(C(=CC=C1)C)N.
What is the InChIKey of 2,6-Dimethylaniline?
The InChIKey is UFFBMTHBGFGIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3.
What are the key properties of 2,6-Dimethylaniline?
2,6-Dimethylaniline has a molecular weight of 121.18 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-Dimethylaniline is sourced from PubChem (CID 6896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).