2-(6,7-dimethoxynaphthalen-2-yl)-4,5-dimethoxyaniline

C20H21NO4 — CID 22716434

IUPAC2-(6,7-dimethoxynaphthalen-2-yl)-4,5-dimethoxyaniline
SMILESCOc1cc(N)c(-c2ccc3cc(OC)c(OC)cc3c2)cc1OC
InChIInChI=1S/C20H21NO4/c1-22-17-8-12-5-6-13(7-14(12)9-18(17)23-2)15-10-19(24-3)20(25-4)11-16(15)21/h5-11H,21H2,1-4H3
InChIKeyMVXFWIJIPARTPT-UHFFFAOYSA-N
MW339.39 g/mol
LogP4.12
Rot. Bonds5

About 2-(6,7-dimethoxynaphthalen-2-yl)-4,5-dimethoxyaniline

2-(6,7-dimethoxynaphthalen-2-yl)-4,5-dimethoxyaniline (PubChem CID 22716434) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-(6,7-dimethoxynaphthalen-2-yl)-4,5-dimethoxyaniline.

Molecular Properties

Compound Name2-(6,7-dimethoxynaphthalen-2-yl)-4,5-dimethoxyaniline
PubChem CID22716434
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name2-(6,7-dimethoxynaphthalen-2-yl)-4,5-dimethoxyaniline
SMILESCOc1cc(N)c(-c2ccc3cc(OC)c(OC)cc3c2)cc1OC
InChIInChI=1S/C20H21NO4/c1-22-17-8-12-5-6-13(7-14(12)9-18(17)23-2)15-10-19(24-3)20(25-4)11-16(15)21/h5-11H,21H2,1-4H3
InChIKeyMVXFWIJIPARTPT-UHFFFAOYSA-N
XLogP4.12
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(6,7-dimethoxynaphthalen-2-yl)-4,5-dimethoxyaniline 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 2-(6,7-dimethoxynaphthalen-2-yl)-4,5-dimethoxyaniline?
The IUPAC name of 2-(6,7-dimethoxynaphthalen-2-yl)-4,5-dimethoxyaniline (CID 22716434) is 2-(6,7-dimethoxynaphthalen-2-yl)-4,5-dimethoxyaniline.
What is the SMILES notation for 2-(6,7-dimethoxynaphthalen-2-yl)-4,5-dimethoxyaniline?
The canonical SMILES for 2-(6,7-dimethoxynaphthalen-2-yl)-4,5-dimethoxyaniline is COc1cc(N)c(-c2ccc3cc(OC)c(OC)cc3c2)cc1OC.
What is the InChIKey of 2-(6,7-dimethoxynaphthalen-2-yl)-4,5-dimethoxyaniline?
The InChIKey is MVXFWIJIPARTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-22-17-8-12-5-6-13(7-14(12)9-18(17)23-2)15-10-19(24-3)20(25-4)11-16(15)21/h5-11H,21H2,1-4H3.
What are the key properties of 2-(6,7-dimethoxynaphthalen-2-yl)-4,5-dimethoxyaniline?
2-(6,7-dimethoxynaphthalen-2-yl)-4,5-dimethoxyaniline has a molecular weight of 339.39 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxynaphthalen-2-yl)-4,5-dimethoxyaniline is sourced from PubChem (CID 22716434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).