5-(diethylamino)-2-[(3,4,5-trimethoxyphenyl)methyliminomethyl]phenol

C21H28N2O4 — CID 135710898

IUPAC5-(diethylamino)-2-[(3,4,5-trimethoxyphenyl)methyliminomethyl]phenol
SMILESCCN(CC)c1ccc(/C=N/Cc2cc(OC)c(OC)c(OC)c2)c(O)c1
InChIInChI=1S/C21H28N2O4/c1-6-23(7-2)17-9-8-16(18(24)12-17)14-22-13-15-10-19(25-3)21(27-5)20(11-15)26-4/h8-12,14,24H,6-7,13H2,1-5H3/b22-14+
InChIKeyOKJSROAFWYGNPY-HYARGMPZSA-N
MW372.47 g/mol
LogP3.88
Rot. Bonds9

About 5-(diethylamino)-2-[(3,4,5-trimethoxyphenyl)methyliminomethyl]phenol

5-(diethylamino)-2-[(3,4,5-trimethoxyphenyl)methyliminomethyl]phenol (PubChem CID 135710898) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is 5-(diethylamino)-2-[(3,4,5-trimethoxyphenyl)methyliminomethyl]phenol.

Molecular Properties

Compound Name5-(diethylamino)-2-[(3,4,5-trimethoxyphenyl)methyliminomethyl]phenol
PubChem CID135710898
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name5-(diethylamino)-2-[(3,4,5-trimethoxyphenyl)methyliminomethyl]phenol
SMILESCCN(CC)c1ccc(/C=N/Cc2cc(OC)c(OC)c(OC)c2)c(O)c1
InChIInChI=1S/C21H28N2O4/c1-6-23(7-2)17-9-8-16(18(24)12-17)14-22-13-15-10-19(25-3)21(27-5)20(11-15)26-4/h8-12,14,24H,6-7,13H2,1-5H3/b22-14+
InChIKeyOKJSROAFWYGNPY-HYARGMPZSA-N
XLogP3.88
TPSA63.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(3,4,5-trimethoxyphenyl)methyliminomethyl]phenol?
The IUPAC name of 5-(diethylamino)-2-[(3,4,5-trimethoxyphenyl)methyliminomethyl]phenol (CID 135710898) is 5-(diethylamino)-2-[(3,4,5-trimethoxyphenyl)methyliminomethyl]phenol.
What is the SMILES notation for 5-(diethylamino)-2-[(3,4,5-trimethoxyphenyl)methyliminomethyl]phenol?
The canonical SMILES for 5-(diethylamino)-2-[(3,4,5-trimethoxyphenyl)methyliminomethyl]phenol is CCN(CC)c1ccc(/C=N/Cc2cc(OC)c(OC)c(OC)c2)c(O)c1.
What is the InChIKey of 5-(diethylamino)-2-[(3,4,5-trimethoxyphenyl)methyliminomethyl]phenol?
The InChIKey is OKJSROAFWYGNPY-HYARGMPZSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-6-23(7-2)17-9-8-16(18(24)12-17)14-22-13-15-10-19(25-3)21(27-5)20(11-15)26-4/h8-12,14,24H,6-7,13H2,1-5H3/b22-14+.
What are the key properties of 5-(diethylamino)-2-[(3,4,5-trimethoxyphenyl)methyliminomethyl]phenol?
5-(diethylamino)-2-[(3,4,5-trimethoxyphenyl)methyliminomethyl]phenol has a molecular weight of 372.47 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[(3,4,5-trimethoxyphenyl)methyliminomethyl]phenol is sourced from PubChem (CID 135710898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).