2,4-dimethylaniline;methanol

C9H15NO — CID 70633605

IUPAC2,4-dimethylaniline;methanol
SMILESCO.Cc1ccc(N)c(C)c1
InChIInChI=1S/C8H11N.CH4O/c1-6-3-4-8(9)7(2)5-6;1-2/h3-5H,9H2,1-2H3;2H,1H3
InChIKeyQIFOHZLTNPWZKU-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.49
Rot. Bonds

About 2,4-dimethylaniline;methanol

2,4-dimethylaniline;methanol (PubChem CID 70633605) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2,4-dimethylaniline;methanol.

Molecular Properties

Compound Name2,4-dimethylaniline;methanol
PubChem CID70633605
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2,4-dimethylaniline;methanol
SMILESCO.Cc1ccc(N)c(C)c1
InChIInChI=1S/C8H11N.CH4O/c1-6-3-4-8(9)7(2)5-6;1-2/h3-5H,9H2,1-2H3;2H,1H3
InChIKeyQIFOHZLTNPWZKU-UHFFFAOYSA-N
XLogP1.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylaniline;methanol?
The IUPAC name of 2,4-dimethylaniline;methanol (CID 70633605) is 2,4-dimethylaniline;methanol.
What is the SMILES notation for 2,4-dimethylaniline;methanol?
The canonical SMILES for 2,4-dimethylaniline;methanol is CO.Cc1ccc(N)c(C)c1.
What is the InChIKey of 2,4-dimethylaniline;methanol?
The InChIKey is QIFOHZLTNPWZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.CH4O/c1-6-3-4-8(9)7(2)5-6;1-2/h3-5H,9H2,1-2H3;2H,1H3.
What are the key properties of 2,4-dimethylaniline;methanol?
2,4-dimethylaniline;methanol has a molecular weight of 153.22 g/mol, XLogP of 1.49, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylaniline;methanol is sourced from PubChem (CID 70633605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).