2-(6,7-dimethoxynaphthalen-2-yl)-4-methoxyaniline

C19H19NO3 — CID 22716431

IUPAC2-(6,7-dimethoxynaphthalen-2-yl)-4-methoxyaniline
SMILESCOc1ccc(N)c(-c2ccc3cc(OC)c(OC)cc3c2)c1
InChIInChI=1S/C19H19NO3/c1-21-15-6-7-17(20)16(11-15)13-5-4-12-9-18(22-2)19(23-3)10-14(12)8-13/h4-11H,20H2,1-3H3
InChIKeyDUHXKKFPSASCAQ-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.11
Rot. Bonds4

About 2-(6,7-dimethoxynaphthalen-2-yl)-4-methoxyaniline

2-(6,7-dimethoxynaphthalen-2-yl)-4-methoxyaniline (PubChem CID 22716431) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-(6,7-dimethoxynaphthalen-2-yl)-4-methoxyaniline.

Molecular Properties

Compound Name2-(6,7-dimethoxynaphthalen-2-yl)-4-methoxyaniline
PubChem CID22716431
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name2-(6,7-dimethoxynaphthalen-2-yl)-4-methoxyaniline
SMILESCOc1ccc(N)c(-c2ccc3cc(OC)c(OC)cc3c2)c1
InChIInChI=1S/C19H19NO3/c1-21-15-6-7-17(20)16(11-15)13-5-4-12-9-18(22-2)19(23-3)10-14(12)8-13/h4-11H,20H2,1-3H3
InChIKeyDUHXKKFPSASCAQ-UHFFFAOYSA-N
XLogP4.11
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(6,7-dimethoxynaphthalen-2-yl)-4-methoxyaniline 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-methoxyaniline?
The IUPAC name of 2-(6,7-dimethoxynaphthalen-2-yl)-4-methoxyaniline (CID 22716431) is 2-(6,7-dimethoxynaphthalen-2-yl)-4-methoxyaniline.
What is the SMILES notation for 2-(6,7-dimethoxynaphthalen-2-yl)-4-methoxyaniline?
The canonical SMILES for 2-(6,7-dimethoxynaphthalen-2-yl)-4-methoxyaniline is COc1ccc(N)c(-c2ccc3cc(OC)c(OC)cc3c2)c1.
What is the InChIKey of 2-(6,7-dimethoxynaphthalen-2-yl)-4-methoxyaniline?
The InChIKey is DUHXKKFPSASCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-21-15-6-7-17(20)16(11-15)13-5-4-12-9-18(22-2)19(23-3)10-14(12)8-13/h4-11H,20H2,1-3H3.
What are the key properties of 2-(6,7-dimethoxynaphthalen-2-yl)-4-methoxyaniline?
2-(6,7-dimethoxynaphthalen-2-yl)-4-methoxyaniline has a molecular weight of 309.37 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxynaphthalen-2-yl)-4-methoxyaniline is sourced from PubChem (CID 22716431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).