2,4-dimethoxy-3-phenylaniline

C14H15NO2 — CID 165495221

IUPAC2,4-dimethoxy-3-phenylaniline
SMILESCOc1ccc(N)c(OC)c1-c1ccccc1
InChIInChI=1S/C14H15NO2/c1-16-12-9-8-11(15)14(17-2)13(12)10-6-4-3-5-7-10/h3-9H,15H2,1-2H3
InChIKeyMBPCROJGGRAZLP-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.95
Rot. Bonds3

About 2,4-dimethoxy-3-phenylaniline

2,4-dimethoxy-3-phenylaniline (PubChem CID 165495221) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2,4-dimethoxy-3-phenylaniline.

Molecular Properties

Compound Name2,4-dimethoxy-3-phenylaniline
PubChem CID165495221
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2,4-dimethoxy-3-phenylaniline
SMILESCOc1ccc(N)c(OC)c1-c1ccccc1
InChIInChI=1S/C14H15NO2/c1-16-12-9-8-11(15)14(17-2)13(12)10-6-4-3-5-7-10/h3-9H,15H2,1-2H3
InChIKeyMBPCROJGGRAZLP-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 2,4-dimethoxy-3-phenylaniline?
The IUPAC name of 2,4-dimethoxy-3-phenylaniline (CID 165495221) is 2,4-dimethoxy-3-phenylaniline.
What is the SMILES notation for 2,4-dimethoxy-3-phenylaniline?
The canonical SMILES for 2,4-dimethoxy-3-phenylaniline is COc1ccc(N)c(OC)c1-c1ccccc1.
What is the InChIKey of 2,4-dimethoxy-3-phenylaniline?
The InChIKey is MBPCROJGGRAZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-16-12-9-8-11(15)14(17-2)13(12)10-6-4-3-5-7-10/h3-9H,15H2,1-2H3.
What are the key properties of 2,4-dimethoxy-3-phenylaniline?
2,4-dimethoxy-3-phenylaniline 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 2,4-dimethoxy-3-phenylaniline is sourced from PubChem (CID 165495221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).