5-(diethylamino)-2-[[3-(hydroxymethyl)-4-methoxyphenyl]iminomethyl]phenol

C19H24N2O3 — CID 136733745

IUPAC5-(diethylamino)-2-[[3-(hydroxymethyl)-4-methoxyphenyl]iminomethyl]phenol
SMILESCCN(CC)c1ccc(/C=N/c2ccc(OC)c(CO)c2)c(O)c1
InChIInChI=1S/C19H24N2O3/c1-4-21(5-2)17-8-6-14(18(23)11-17)12-20-16-7-9-19(24-3)15(10-16)13-22/h6-12,22-23H,4-5,13H2,1-3H3/b20-12+
InChIKeyIQGSCXAVZTVBLA-UDWIEESQSA-N
MW328.41 g/mol
LogP3.49
Rot. Bonds7

About 5-(diethylamino)-2-[[3-(hydroxymethyl)-4-methoxyphenyl]iminomethyl]phenol

5-(diethylamino)-2-[[3-(hydroxymethyl)-4-methoxyphenyl]iminomethyl]phenol (PubChem CID 136733745) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 5-(diethylamino)-2-[[3-(hydroxymethyl)-4-methoxyphenyl]iminomethyl]phenol.

Molecular Properties

Compound Name5-(diethylamino)-2-[[3-(hydroxymethyl)-4-methoxyphenyl]iminomethyl]phenol
PubChem CID136733745
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name5-(diethylamino)-2-[[3-(hydroxymethyl)-4-methoxyphenyl]iminomethyl]phenol
SMILESCCN(CC)c1ccc(/C=N/c2ccc(OC)c(CO)c2)c(O)c1
InChIInChI=1S/C19H24N2O3/c1-4-21(5-2)17-8-6-14(18(23)11-17)12-20-16-7-9-19(24-3)15(10-16)13-22/h6-12,22-23H,4-5,13H2,1-3H3/b20-12+
InChIKeyIQGSCXAVZTVBLA-UDWIEESQSA-N
XLogP3.49
TPSA65.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(hydroxymethyl)-4-methoxyphenyl]iminomethyl]phenol?
The IUPAC name of 5-(diethylamino)-2-[[3-(hydroxymethyl)-4-methoxyphenyl]iminomethyl]phenol (CID 136733745) is 5-(diethylamino)-2-[[3-(hydroxymethyl)-4-methoxyphenyl]iminomethyl]phenol.
What is the SMILES notation for 5-(diethylamino)-2-[[3-(hydroxymethyl)-4-methoxyphenyl]iminomethyl]phenol?
The canonical SMILES for 5-(diethylamino)-2-[[3-(hydroxymethyl)-4-methoxyphenyl]iminomethyl]phenol is CCN(CC)c1ccc(/C=N/c2ccc(OC)c(CO)c2)c(O)c1.
What is the InChIKey of 5-(diethylamino)-2-[[3-(hydroxymethyl)-4-methoxyphenyl]iminomethyl]phenol?
The InChIKey is IQGSCXAVZTVBLA-UDWIEESQSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-4-21(5-2)17-8-6-14(18(23)11-17)12-20-16-7-9-19(24-3)15(10-16)13-22/h6-12,22-23H,4-5,13H2,1-3H3/b20-12+.
What are the key properties of 5-(diethylamino)-2-[[3-(hydroxymethyl)-4-methoxyphenyl]iminomethyl]phenol?
5-(diethylamino)-2-[[3-(hydroxymethyl)-4-methoxyphenyl]iminomethyl]phenol has a molecular weight of 328.41 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[[3-(hydroxymethyl)-4-methoxyphenyl]iminomethyl]phenol is sourced from PubChem (CID 136733745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).