1-[(3,5-dimethylphenyl)iminomethyl]naphthalen-2-ol

C19H17NO — CID 794532

IUPAC1-[(3,5-dimethylphenyl)iminomethyl]naphthalen-2-ol
SMILESCc1cc(C)cc(/N=C/c2c(O)ccc3ccccc23)c1
InChIInChI=1S/C19H17NO/c1-13-9-14(2)11-16(10-13)20-12-18-17-6-4-3-5-15(17)7-8-19(18)21/h3-12,21H,1-2H3/b20-12+
InChIKeyHVPBPQZLDPVDRG-UDWIEESQSA-N
MW275.35 g/mol
LogP4.91
Rot. Bonds2

About 1-[(3,5-dimethylphenyl)iminomethyl]naphthalen-2-ol

1-[(3,5-dimethylphenyl)iminomethyl]naphthalen-2-ol (PubChem CID 794532) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenyl)iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(3,5-dimethylphenyl)iminomethyl]naphthalen-2-ol
PubChem CID794532
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name1-[(3,5-dimethylphenyl)iminomethyl]naphthalen-2-ol
SMILESCc1cc(C)cc(/N=C/c2c(O)ccc3ccccc23)c1
InChIInChI=1S/C19H17NO/c1-13-9-14(2)11-16(10-13)20-12-18-17-6-4-3-5-15(17)7-8-19(18)21/h3-12,21H,1-2H3/b20-12+
InChIKeyHVPBPQZLDPVDRG-UDWIEESQSA-N
XLogP4.91
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[(3,5-dimethylphenyl)iminomethyl]naphthalen-2-ol 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 1-[(3,5-dimethylphenyl)iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[(3,5-dimethylphenyl)iminomethyl]naphthalen-2-ol (CID 794532) is 1-[(3,5-dimethylphenyl)iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(3,5-dimethylphenyl)iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(3,5-dimethylphenyl)iminomethyl]naphthalen-2-ol is Cc1cc(C)cc(/N=C/c2c(O)ccc3ccccc23)c1.
What is the InChIKey of 1-[(3,5-dimethylphenyl)iminomethyl]naphthalen-2-ol?
The InChIKey is HVPBPQZLDPVDRG-UDWIEESQSA-N. The full InChI is InChI=1S/C19H17NO/c1-13-9-14(2)11-16(10-13)20-12-18-17-6-4-3-5-15(17)7-8-19(18)21/h3-12,21H,1-2H3/b20-12+.
What are the key properties of 1-[(3,5-dimethylphenyl)iminomethyl]naphthalen-2-ol?
1-[(3,5-dimethylphenyl)iminomethyl]naphthalen-2-ol has a molecular weight of 275.35 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylphenyl)iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 794532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).