2,5-Dimethylaniline

C8H11N — CID 7259

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

About 2,5-Dimethylaniline

2,5-Dimethylaniline (PubChem CID 7259) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 2,5-dimethylaniline.

Molecular Properties

Compound Name2,5-Dimethylaniline
PubChem CID7259
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name2,5-dimethylaniline
SMILESCC1=CC(=C(C=C1)C)N
InChIInChI=1S/C8H11N/c1-6-3-4-7(2)8(9)5-6/h3-5H,9H2,1-2H3
InChIKeyVOWZNBNDMFLQGM-UHFFFAOYSA-N
XLogP1.80
TPSA26.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity90

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
2,4-Diaminotoluene
CID 7261
p-Toluidine
CID 7813
3,4-Diaminotoluene
CID 10332
2,4-Dimethylaniline
CID 7250
2,6-Diaminotoluene
CID 13205
2,3-Diaminotoluene
CID 17593
2,5-Diaminotoluene
CID 7252
2-Aminobiphenyl
CID 7015
3,5-Dimethylaniline
CID 7949
3,4-Dimethylaniline
CID 7248
m-Toluidine
CID 7934

Frequently Asked Questions

What is the IUPAC name of 2,5-Dimethylaniline?
The IUPAC name of 2,5-Dimethylaniline (CID 7259) is 2,5-dimethylaniline.
What is the SMILES notation for 2,5-Dimethylaniline?
The canonical SMILES for 2,5-Dimethylaniline is CC1=CC(=C(C=C1)C)N.
What is the InChIKey of 2,5-Dimethylaniline?
The InChIKey is VOWZNBNDMFLQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-6-3-4-7(2)8(9)5-6/h3-5H,9H2,1-2H3.
What are the key properties of 2,5-Dimethylaniline?
2,5-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 2,5-Dimethylaniline is sourced from PubChem (CID 7259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).