6,7-dimethoxy-2-phenylnaphthalen-1-amine

C18H17NO2 — CID 11208231

IUPAC6,7-dimethoxy-2-phenylnaphthalen-1-amine
SMILESCOc1cc2ccc(-c3ccccc3)c(N)c2cc1OC
InChIInChI=1S/C18H17NO2/c1-20-16-10-13-8-9-14(12-6-4-3-5-7-12)18(19)15(13)11-17(16)21-2/h3-11H,19H2,1-2H3
InChIKeyLTZNNGFKRPCZMZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.11
Rot. Bonds3

About 6,7-dimethoxy-2-phenylnaphthalen-1-amine

6,7-dimethoxy-2-phenylnaphthalen-1-amine (PubChem CID 11208231) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 6,7-dimethoxy-2-phenylnaphthalen-1-amine.

Molecular Properties

Compound Name6,7-dimethoxy-2-phenylnaphthalen-1-amine
PubChem CID11208231
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name6,7-dimethoxy-2-phenylnaphthalen-1-amine
SMILESCOc1cc2ccc(-c3ccccc3)c(N)c2cc1OC
InChIInChI=1S/C18H17NO2/c1-20-16-10-13-8-9-14(12-6-4-3-5-7-12)18(19)15(13)11-17(16)21-2/h3-11H,19H2,1-2H3
InChIKeyLTZNNGFKRPCZMZ-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 6,7-dimethoxy-2-phenylnaphthalen-1-amine 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 6,7-dimethoxy-2-phenylnaphthalen-1-amine?
The IUPAC name of 6,7-dimethoxy-2-phenylnaphthalen-1-amine (CID 11208231) is 6,7-dimethoxy-2-phenylnaphthalen-1-amine.
What is the SMILES notation for 6,7-dimethoxy-2-phenylnaphthalen-1-amine?
The canonical SMILES for 6,7-dimethoxy-2-phenylnaphthalen-1-amine is COc1cc2ccc(-c3ccccc3)c(N)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-phenylnaphthalen-1-amine?
The InChIKey is LTZNNGFKRPCZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-20-16-10-13-8-9-14(12-6-4-3-5-7-12)18(19)15(13)11-17(16)21-2/h3-11H,19H2,1-2H3.
What are the key properties of 6,7-dimethoxy-2-phenylnaphthalen-1-amine?
6,7-dimethoxy-2-phenylnaphthalen-1-amine 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 6,7-dimethoxy-2-phenylnaphthalen-1-amine is sourced from PubChem (CID 11208231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).