2,3-bis(4-methoxyphenyl)aniline

C20H19NO2 — CID 22178554

IUPAC2,3-bis(4-methoxyphenyl)aniline
SMILESCOc1ccc(-c2cccc(N)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H19NO2/c1-22-16-10-6-14(7-11-16)18-4-3-5-19(21)20(18)15-8-12-17(23-2)13-9-15/h3-13H,21H2,1-2H3
InChIKeyFEYADROKQQKPLA-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.62
Rot. Bonds4

About 2,3-bis(4-methoxyphenyl)aniline

2,3-bis(4-methoxyphenyl)aniline (PubChem CID 22178554) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2,3-bis(4-methoxyphenyl)aniline.

Molecular Properties

Compound Name2,3-bis(4-methoxyphenyl)aniline
PubChem CID22178554
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name2,3-bis(4-methoxyphenyl)aniline
SMILESCOc1ccc(-c2cccc(N)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H19NO2/c1-22-16-10-6-14(7-11-16)18-4-3-5-19(21)20(18)15-8-12-17(23-2)13-9-15/h3-13H,21H2,1-2H3
InChIKeyFEYADROKQQKPLA-UHFFFAOYSA-N
XLogP4.62
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.62
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 2,3-bis(4-methoxyphenyl)aniline?
The IUPAC name of 2,3-bis(4-methoxyphenyl)aniline (CID 22178554) is 2,3-bis(4-methoxyphenyl)aniline.
What is the SMILES notation for 2,3-bis(4-methoxyphenyl)aniline?
The canonical SMILES for 2,3-bis(4-methoxyphenyl)aniline is COc1ccc(-c2cccc(N)c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2,3-bis(4-methoxyphenyl)aniline?
The InChIKey is FEYADROKQQKPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-22-16-10-6-14(7-11-16)18-4-3-5-19(21)20(18)15-8-12-17(23-2)13-9-15/h3-13H,21H2,1-2H3.
What are the key properties of 2,3-bis(4-methoxyphenyl)aniline?
2,3-bis(4-methoxyphenyl)aniline has a molecular weight of 305.38 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-methoxyphenyl)aniline is sourced from PubChem (CID 22178554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).