3-methoxy-4-(4-phenoxyphenyl)aniline

C19H17NO2 — CID 57279676

IUPAC3-methoxy-4-(4-phenoxyphenyl)aniline
SMILESCOc1cc(N)ccc1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H17NO2/c1-21-19-13-15(20)9-12-18(19)14-7-10-17(11-8-14)22-16-5-3-2-4-6-16/h2-13H,20H2,1H3
InChIKeyOOEOVIUUVPFMSH-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.74
Rot. Bonds4

About 3-methoxy-4-(4-phenoxyphenyl)aniline

3-methoxy-4-(4-phenoxyphenyl)aniline (PubChem CID 57279676) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-methoxy-4-(4-phenoxyphenyl)aniline.

Molecular Properties

Compound Name3-methoxy-4-(4-phenoxyphenyl)aniline
PubChem CID57279676
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name3-methoxy-4-(4-phenoxyphenyl)aniline
SMILESCOc1cc(N)ccc1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H17NO2/c1-21-19-13-15(20)9-12-18(19)14-7-10-17(11-8-14)22-16-5-3-2-4-6-16/h2-13H,20H2,1H3
InChIKeyOOEOVIUUVPFMSH-UHFFFAOYSA-N
XLogP4.74
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methoxy-4-(4-phenoxyphenyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(4-phenoxyphenyl)aniline?
The IUPAC name of 3-methoxy-4-(4-phenoxyphenyl)aniline (CID 57279676) is 3-methoxy-4-(4-phenoxyphenyl)aniline.
What is the SMILES notation for 3-methoxy-4-(4-phenoxyphenyl)aniline?
The canonical SMILES for 3-methoxy-4-(4-phenoxyphenyl)aniline is COc1cc(N)ccc1-c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 3-methoxy-4-(4-phenoxyphenyl)aniline?
The InChIKey is OOEOVIUUVPFMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-21-19-13-15(20)9-12-18(19)14-7-10-17(11-8-14)22-16-5-3-2-4-6-16/h2-13H,20H2,1H3.
What are the key properties of 3-methoxy-4-(4-phenoxyphenyl)aniline?
3-methoxy-4-(4-phenoxyphenyl)aniline has a molecular weight of 291.35 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(4-phenoxyphenyl)aniline is sourced from PubChem (CID 57279676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).