2-[(3,4-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol

C17H18Cl2N2O — CID 693567

IUPAC2-[(3,4-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol
SMILESCCN(CC)c1ccc(/C=N/c2ccc(Cl)c(Cl)c2)c(O)c1
InChIInChI=1S/C17H18Cl2N2O/c1-3-21(4-2)14-7-5-12(17(22)10-14)11-20-13-6-8-15(18)16(19)9-13/h5-11,22H,3-4H2,1-2H3/b20-11+
InChIKeyMJCCPDRACCGOHT-RGVLZGJSSA-N
MW337.25 g/mol
LogP5.30
Rot. Bonds5

About 2-[(3,4-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol

2-[(3,4-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol (PubChem CID 693567) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol
PubChem CID693567
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC Name2-[(3,4-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol
SMILESCCN(CC)c1ccc(/C=N/c2ccc(Cl)c(Cl)c2)c(O)c1
InChIInChI=1S/C17H18Cl2N2O/c1-3-21(4-2)14-7-5-12(17(22)10-14)11-20-13-6-8-15(18)16(19)9-13/h5-11,22H,3-4H2,1-2H3/b20-11+
InChIKeyMJCCPDRACCGOHT-RGVLZGJSSA-N
XLogP5.30
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.25
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(3,4-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol 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-[(3,4-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol?
The IUPAC name of 2-[(3,4-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol (CID 693567) is 2-[(3,4-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol?
The canonical SMILES for 2-[(3,4-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol is CCN(CC)c1ccc(/C=N/c2ccc(Cl)c(Cl)c2)c(O)c1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol?
The InChIKey is MJCCPDRACCGOHT-RGVLZGJSSA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c1-3-21(4-2)14-7-5-12(17(22)10-14)11-20-13-6-8-15(18)16(19)9-13/h5-11,22H,3-4H2,1-2H3/b20-11+.
What are the key properties of 2-[(3,4-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol?
2-[(3,4-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol has a molecular weight of 337.25 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol is sourced from PubChem (CID 693567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).