1-(2-anilinoethyliminomethyl)naphthalen-2-ol

C19H18N2O — CID 139076702

IUPAC1-(2-anilinoethyliminomethyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/CCNc1ccccc1
InChIInChI=1S/C19H18N2O/c22-19-11-10-15-6-4-5-9-17(15)18(19)14-20-12-13-21-16-7-2-1-3-8-16/h1-11,14,21-22H,12-13H2/b20-14+
InChIKeySNOBDVAZMDUNOB-XSFVSMFZSA-N
MW290.37 g/mol
LogP4.08
Rot. Bonds5

About 1-(2-anilinoethyliminomethyl)naphthalen-2-ol

1-(2-anilinoethyliminomethyl)naphthalen-2-ol (PubChem CID 139076702) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-(2-anilinoethyliminomethyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(2-anilinoethyliminomethyl)naphthalen-2-ol
PubChem CID139076702
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name1-(2-anilinoethyliminomethyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/CCNc1ccccc1
InChIInChI=1S/C19H18N2O/c22-19-11-10-15-6-4-5-9-17(15)18(19)14-20-12-13-21-16-7-2-1-3-8-16/h1-11,14,21-22H,12-13H2/b20-14+
InChIKeySNOBDVAZMDUNOB-XSFVSMFZSA-N
XLogP4.08
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-anilinoethyliminomethyl)naphthalen-2-ol?
The IUPAC name of 1-(2-anilinoethyliminomethyl)naphthalen-2-ol (CID 139076702) is 1-(2-anilinoethyliminomethyl)naphthalen-2-ol.
What is the SMILES notation for 1-(2-anilinoethyliminomethyl)naphthalen-2-ol?
The canonical SMILES for 1-(2-anilinoethyliminomethyl)naphthalen-2-ol is Oc1ccc2ccccc2c1/C=N/CCNc1ccccc1.
What is the InChIKey of 1-(2-anilinoethyliminomethyl)naphthalen-2-ol?
The InChIKey is SNOBDVAZMDUNOB-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H18N2O/c22-19-11-10-15-6-4-5-9-17(15)18(19)14-20-12-13-21-16-7-2-1-3-8-16/h1-11,14,21-22H,12-13H2/b20-14+.
What are the key properties of 1-(2-anilinoethyliminomethyl)naphthalen-2-ol?
1-(2-anilinoethyliminomethyl)naphthalen-2-ol has a molecular weight of 290.37 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-anilinoethyliminomethyl)naphthalen-2-ol is sourced from PubChem (CID 139076702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).