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

C19H24N2O — CID 829292

IUPAC4-(diethylamino)-2-[(3,4-dimethylphenyl)iminomethyl]phenol
SMILESCCN(CC)c1ccc(O)c(/C=N/c2ccc(C)c(C)c2)c1
InChIInChI=1S/C19H24N2O/c1-5-21(6-2)18-9-10-19(22)16(12-18)13-20-17-8-7-14(3)15(4)11-17/h7-13,22H,5-6H2,1-4H3/b20-13+
InChIKeySAAHIVCJCKTMJS-DEDYPNTBSA-N
MW296.41 g/mol
LogP4.61
Rot. Bonds5

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

4-(diethylamino)-2-[(3,4-dimethylphenyl)iminomethyl]phenol (PubChem CID 829292) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 4-(diethylamino)-2-[(3,4-dimethylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-(diethylamino)-2-[(3,4-dimethylphenyl)iminomethyl]phenol
PubChem CID829292
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name4-(diethylamino)-2-[(3,4-dimethylphenyl)iminomethyl]phenol
SMILESCCN(CC)c1ccc(O)c(/C=N/c2ccc(C)c(C)c2)c1
InChIInChI=1S/C19H24N2O/c1-5-21(6-2)18-9-10-19(22)16(12-18)13-20-17-8-7-14(3)15(4)11-17/h7-13,22H,5-6H2,1-4H3/b20-13+
InChIKeySAAHIVCJCKTMJS-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 4-(diethylamino)-2-[(3,4-dimethylphenyl)iminomethyl]phenol?
The IUPAC name of 4-(diethylamino)-2-[(3,4-dimethylphenyl)iminomethyl]phenol (CID 829292) is 4-(diethylamino)-2-[(3,4-dimethylphenyl)iminomethyl]phenol.
What is the SMILES notation for 4-(diethylamino)-2-[(3,4-dimethylphenyl)iminomethyl]phenol?
The canonical SMILES for 4-(diethylamino)-2-[(3,4-dimethylphenyl)iminomethyl]phenol is CCN(CC)c1ccc(O)c(/C=N/c2ccc(C)c(C)c2)c1.
What is the InChIKey of 4-(diethylamino)-2-[(3,4-dimethylphenyl)iminomethyl]phenol?
The InChIKey is SAAHIVCJCKTMJS-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H24N2O/c1-5-21(6-2)18-9-10-19(22)16(12-18)13-20-17-8-7-14(3)15(4)11-17/h7-13,22H,5-6H2,1-4H3/b20-13+.
What are the key properties of 4-(diethylamino)-2-[(3,4-dimethylphenyl)iminomethyl]phenol?
4-(diethylamino)-2-[(3,4-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 4-(diethylamino)-2-[(3,4-dimethylphenyl)iminomethyl]phenol is sourced from PubChem (CID 829292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).