5-(diethylamino)-2-[(4-methylphenyl)iminomethyl]phenol

C18H22N2O — CID 832535

IUPAC5-(diethylamino)-2-[(4-methylphenyl)iminomethyl]phenol
SMILESCCN(CC)c1ccc(/C=N/c2ccc(C)cc2)c(O)c1
InChIInChI=1S/C18H22N2O/c1-4-20(5-2)17-11-8-15(18(21)12-17)13-19-16-9-6-14(3)7-10-16/h6-13,21H,4-5H2,1-3H3/b19-13+
InChIKeyKTUXSHKIYRRKTE-CPNJWEJPSA-N
MW282.39 g/mol
LogP4.30
Rot. Bonds5

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

5-(diethylamino)-2-[(4-methylphenyl)iminomethyl]phenol (PubChem CID 832535) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 5-(diethylamino)-2-[(4-methylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name5-(diethylamino)-2-[(4-methylphenyl)iminomethyl]phenol
PubChem CID832535
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name5-(diethylamino)-2-[(4-methylphenyl)iminomethyl]phenol
SMILESCCN(CC)c1ccc(/C=N/c2ccc(C)cc2)c(O)c1
InChIInChI=1S/C18H22N2O/c1-4-20(5-2)17-11-8-15(18(21)12-17)13-19-16-9-6-14(3)7-10-16/h6-13,21H,4-5H2,1-3H3/b19-13+
InChIKeyKTUXSHKIYRRKTE-CPNJWEJPSA-N
XLogP4.30
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.30
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-[(4-methylphenyl)iminomethyl]phenol?
The IUPAC name of 5-(diethylamino)-2-[(4-methylphenyl)iminomethyl]phenol (CID 832535) is 5-(diethylamino)-2-[(4-methylphenyl)iminomethyl]phenol.
What is the SMILES notation for 5-(diethylamino)-2-[(4-methylphenyl)iminomethyl]phenol?
The canonical SMILES for 5-(diethylamino)-2-[(4-methylphenyl)iminomethyl]phenol is CCN(CC)c1ccc(/C=N/c2ccc(C)cc2)c(O)c1.
What is the InChIKey of 5-(diethylamino)-2-[(4-methylphenyl)iminomethyl]phenol?
The InChIKey is KTUXSHKIYRRKTE-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H22N2O/c1-4-20(5-2)17-11-8-15(18(21)12-17)13-19-16-9-6-14(3)7-10-16/h6-13,21H,4-5H2,1-3H3/b19-13+.
What are the key properties of 5-(diethylamino)-2-[(4-methylphenyl)iminomethyl]phenol?
5-(diethylamino)-2-[(4-methylphenyl)iminomethyl]phenol has a molecular weight of 282.39 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[(4-methylphenyl)iminomethyl]phenol is sourced from PubChem (CID 832535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).