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

C19H24N2O — CID 785653

IUPAC5-(diethylamino)-2-[(2,4-dimethylphenyl)iminomethyl]phenol
SMILESCCN(CC)c1ccc(/C=N/c2ccc(C)cc2C)c(O)c1
InChIInChI=1S/C19H24N2O/c1-5-21(6-2)17-9-8-16(19(22)12-17)13-20-18-10-7-14(3)11-15(18)4/h7-13,22H,5-6H2,1-4H3/b20-13+
InChIKeySSUBZVOLPSPUEQ-DEDYPNTBSA-N
MW296.41 g/mol
LogP4.61
Rot. Bonds5

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

5-(diethylamino)-2-[(2,4-dimethylphenyl)iminomethyl]phenol (PubChem CID 785653) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 5-(diethylamino)-2-[(2,4-dimethylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name5-(diethylamino)-2-[(2,4-dimethylphenyl)iminomethyl]phenol
PubChem CID785653
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name5-(diethylamino)-2-[(2,4-dimethylphenyl)iminomethyl]phenol
SMILESCCN(CC)c1ccc(/C=N/c2ccc(C)cc2C)c(O)c1
InChIInChI=1S/C19H24N2O/c1-5-21(6-2)17-9-8-16(19(22)12-17)13-20-18-10-7-14(3)11-15(18)4/h7-13,22H,5-6H2,1-4H3/b20-13+
InChIKeySSUBZVOLPSPUEQ-DEDYPNTBSA-N
XLogP4.61
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-[(2,4-dimethylphenyl)iminomethyl]phenol?
The IUPAC name of 5-(diethylamino)-2-[(2,4-dimethylphenyl)iminomethyl]phenol (CID 785653) is 5-(diethylamino)-2-[(2,4-dimethylphenyl)iminomethyl]phenol.
What is the SMILES notation for 5-(diethylamino)-2-[(2,4-dimethylphenyl)iminomethyl]phenol?
The canonical SMILES for 5-(diethylamino)-2-[(2,4-dimethylphenyl)iminomethyl]phenol is CCN(CC)c1ccc(/C=N/c2ccc(C)cc2C)c(O)c1.
What is the InChIKey of 5-(diethylamino)-2-[(2,4-dimethylphenyl)iminomethyl]phenol?
The InChIKey is SSUBZVOLPSPUEQ-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H24N2O/c1-5-21(6-2)17-9-8-16(19(22)12-17)13-20-18-10-7-14(3)11-15(18)4/h7-13,22H,5-6H2,1-4H3/b20-13+.
What are the key properties of 5-(diethylamino)-2-[(2,4-dimethylphenyl)iminomethyl]phenol?
5-(diethylamino)-2-[(2,4-dimethylphenyl)iminomethyl]phenol has a molecular weight of 296.41 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[(2,4-dimethylphenyl)iminomethyl]phenol is sourced from PubChem (CID 785653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).