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

C19H24N2O2 — CID 693227

IUPAC5-(diethylamino)-2-[(4-ethoxyphenyl)iminomethyl]phenol
SMILESCCOc1ccc(/N=C/c2ccc(N(CC)CC)cc2O)cc1
InChIInChI=1S/C19H24N2O2/c1-4-21(5-2)17-10-7-15(19(22)13-17)14-20-16-8-11-18(12-9-16)23-6-3/h7-14,22H,4-6H2,1-3H3/b20-14+
InChIKeyLWPHQRJGMVASMM-XSFVSMFZSA-N
MW312.41 g/mol
LogP4.39
Rot. Bonds7

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

5-(diethylamino)-2-[(4-ethoxyphenyl)iminomethyl]phenol (PubChem CID 693227) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 5-(diethylamino)-2-[(4-ethoxyphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name5-(diethylamino)-2-[(4-ethoxyphenyl)iminomethyl]phenol
PubChem CID693227
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name5-(diethylamino)-2-[(4-ethoxyphenyl)iminomethyl]phenol
SMILESCCOc1ccc(/N=C/c2ccc(N(CC)CC)cc2O)cc1
InChIInChI=1S/C19H24N2O2/c1-4-21(5-2)17-10-7-15(19(22)13-17)14-20-16-8-11-18(12-9-16)23-6-3/h7-14,22H,4-6H2,1-3H3/b20-14+
InChIKeyLWPHQRJGMVASMM-XSFVSMFZSA-N
XLogP4.39
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethoxyphenyl)iminomethyl]phenol?
The IUPAC name of 5-(diethylamino)-2-[(4-ethoxyphenyl)iminomethyl]phenol (CID 693227) is 5-(diethylamino)-2-[(4-ethoxyphenyl)iminomethyl]phenol.
What is the SMILES notation for 5-(diethylamino)-2-[(4-ethoxyphenyl)iminomethyl]phenol?
The canonical SMILES for 5-(diethylamino)-2-[(4-ethoxyphenyl)iminomethyl]phenol is CCOc1ccc(/N=C/c2ccc(N(CC)CC)cc2O)cc1.
What is the InChIKey of 5-(diethylamino)-2-[(4-ethoxyphenyl)iminomethyl]phenol?
The InChIKey is LWPHQRJGMVASMM-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-4-21(5-2)17-10-7-15(19(22)13-17)14-20-16-8-11-18(12-9-16)23-6-3/h7-14,22H,4-6H2,1-3H3/b20-14+.
What are the key properties of 5-(diethylamino)-2-[(4-ethoxyphenyl)iminomethyl]phenol?
5-(diethylamino)-2-[(4-ethoxyphenyl)iminomethyl]phenol has a molecular weight of 312.41 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[(4-ethoxyphenyl)iminomethyl]phenol is sourced from PubChem (CID 693227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).