3-(2,4-dimethoxyphenyl)aniline

C14H15NO2 — CID 2758411

IUPAC3-(2,4-dimethoxyphenyl)aniline
SMILESCOc1ccc(-c2cccc(N)c2)c(OC)c1
InChIInChI=1S/C14H15NO2/c1-16-12-6-7-13(14(9-12)17-2)10-4-3-5-11(15)8-10/h3-9H,15H2,1-2H3
InChIKeyXLSYCLUSWLUGGZ-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.95
Rot. Bonds3

About 3-(2,4-dimethoxyphenyl)aniline

3-(2,4-dimethoxyphenyl)aniline (PubChem CID 2758411) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)aniline.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)aniline
PubChem CID2758411
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name3-(2,4-dimethoxyphenyl)aniline
SMILESCOc1ccc(-c2cccc(N)c2)c(OC)c1
InChIInChI=1S/C14H15NO2/c1-16-12-6-7-13(14(9-12)17-2)10-4-3-5-11(15)8-10/h3-9H,15H2,1-2H3
InChIKeyXLSYCLUSWLUGGZ-UHFFFAOYSA-N
XLogP2.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2,4-dimethoxyphenyl)aniline?
The IUPAC name of 3-(2,4-dimethoxyphenyl)aniline (CID 2758411) is 3-(2,4-dimethoxyphenyl)aniline.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)aniline?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)aniline is COc1ccc(-c2cccc(N)c2)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)aniline?
The InChIKey is XLSYCLUSWLUGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-16-12-6-7-13(14(9-12)17-2)10-4-3-5-11(15)8-10/h3-9H,15H2,1-2H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)aniline?
3-(2,4-dimethoxyphenyl)aniline has a molecular weight of 229.28 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)aniline is sourced from PubChem (CID 2758411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).