2-(6,7-dimethoxynaphthalen-2-yl)aniline

C18H17NO2 — CID 22716427

IUPAC2-(6,7-dimethoxynaphthalen-2-yl)aniline
SMILESCOc1cc2ccc(-c3ccccc3N)cc2cc1OC
InChIInChI=1S/C18H17NO2/c1-20-17-10-12-7-8-13(9-14(12)11-18(17)21-2)15-5-3-4-6-16(15)19/h3-11H,19H2,1-2H3
InChIKeyRPRQHHJLRLEIOK-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.11
Rot. Bonds3

About 2-(6,7-dimethoxynaphthalen-2-yl)aniline

2-(6,7-dimethoxynaphthalen-2-yl)aniline (PubChem CID 22716427) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(6,7-dimethoxynaphthalen-2-yl)aniline.

Molecular Properties

Compound Name2-(6,7-dimethoxynaphthalen-2-yl)aniline
PubChem CID22716427
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name2-(6,7-dimethoxynaphthalen-2-yl)aniline
SMILESCOc1cc2ccc(-c3ccccc3N)cc2cc1OC
InChIInChI=1S/C18H17NO2/c1-20-17-10-12-7-8-13(9-14(12)11-18(17)21-2)15-5-3-4-6-16(15)19/h3-11H,19H2,1-2H3
InChIKeyRPRQHHJLRLEIOK-UHFFFAOYSA-N
XLogP4.11
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(6,7-dimethoxynaphthalen-2-yl)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 2-(6,7-dimethoxynaphthalen-2-yl)aniline?
The IUPAC name of 2-(6,7-dimethoxynaphthalen-2-yl)aniline (CID 22716427) is 2-(6,7-dimethoxynaphthalen-2-yl)aniline.
What is the SMILES notation for 2-(6,7-dimethoxynaphthalen-2-yl)aniline?
The canonical SMILES for 2-(6,7-dimethoxynaphthalen-2-yl)aniline is COc1cc2ccc(-c3ccccc3N)cc2cc1OC.
What is the InChIKey of 2-(6,7-dimethoxynaphthalen-2-yl)aniline?
The InChIKey is RPRQHHJLRLEIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-20-17-10-12-7-8-13(9-14(12)11-18(17)21-2)15-5-3-4-6-16(15)19/h3-11H,19H2,1-2H3.
What are the key properties of 2-(6,7-dimethoxynaphthalen-2-yl)aniline?
2-(6,7-dimethoxynaphthalen-2-yl)aniline has a molecular weight of 279.34 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxynaphthalen-2-yl)aniline is sourced from PubChem (CID 22716427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).