4-(diethylamino)-2-[(2-hydroxyphenyl)iminomethyl]phenol

C17H20N2O2 — CID 136672057

IUPAC4-(diethylamino)-2-[(2-hydroxyphenyl)iminomethyl]phenol
SMILESCCN(CC)c1ccc(O)c(/C=N/c2ccccc2O)c1
InChIInChI=1S/C17H20N2O2/c1-3-19(4-2)14-9-10-16(20)13(11-14)12-18-15-7-5-6-8-17(15)21/h5-12,20-21H,3-4H2,1-2H3/b18-12+
InChIKeyHDVLGKRRMQHCBK-LDADJPATSA-N
MW284.36 g/mol
LogP3.69
Rot. Bonds5

About 4-(diethylamino)-2-[(2-hydroxyphenyl)iminomethyl]phenol

4-(diethylamino)-2-[(2-hydroxyphenyl)iminomethyl]phenol (PubChem CID 136672057) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-(diethylamino)-2-[(2-hydroxyphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-(diethylamino)-2-[(2-hydroxyphenyl)iminomethyl]phenol
PubChem CID136672057
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-(diethylamino)-2-[(2-hydroxyphenyl)iminomethyl]phenol
SMILESCCN(CC)c1ccc(O)c(/C=N/c2ccccc2O)c1
InChIInChI=1S/C17H20N2O2/c1-3-19(4-2)14-9-10-16(20)13(11-14)12-18-15-7-5-6-8-17(15)21/h5-12,20-21H,3-4H2,1-2H3/b18-12+
InChIKeyHDVLGKRRMQHCBK-LDADJPATSA-N
XLogP3.69
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(diethylamino)-2-(pyren-1-yliminomethyl)phenol
CID 162787925
5-(diethylamino)-2-(phenyliminomethyl)phenol
CID 641174
7-(diethylamino)-3-[(2-hydroxyphenyl)methylideneamino]chromen-2-one
CID 136745134
copper 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534570
zinc 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534569
4-butan-2-yl-2-[[2-[(5-butan-2-yl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 137028699
2-[(3,4-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol
CID 693567
2-[(4-amino-3,5-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol
CID 135675128
4-methyl-2-[(2-methylphenyl)iminomethyl]phenol
CID 136675822
3',6'-bis(diethylamino)-2-[(E)-[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]spiro[isoindole-3,9'-xanthene]-1-one
CID 177476905
5-(diethylamino)-2-[(2,4,6-trimethylphenyl)iminomethyl]phenol
CID 830890
5-(diethylamino)-2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol
CID 135621779

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-2-[(2-hydroxyphenyl)iminomethyl]phenol?
The IUPAC name of 4-(diethylamino)-2-[(2-hydroxyphenyl)iminomethyl]phenol (CID 136672057) is 4-(diethylamino)-2-[(2-hydroxyphenyl)iminomethyl]phenol.
What is the SMILES notation for 4-(diethylamino)-2-[(2-hydroxyphenyl)iminomethyl]phenol?
The canonical SMILES for 4-(diethylamino)-2-[(2-hydroxyphenyl)iminomethyl]phenol is CCN(CC)c1ccc(O)c(/C=N/c2ccccc2O)c1.
What is the InChIKey of 4-(diethylamino)-2-[(2-hydroxyphenyl)iminomethyl]phenol?
The InChIKey is HDVLGKRRMQHCBK-LDADJPATSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-19(4-2)14-9-10-16(20)13(11-14)12-18-15-7-5-6-8-17(15)21/h5-12,20-21H,3-4H2,1-2H3/b18-12+.
What are the key properties of 4-(diethylamino)-2-[(2-hydroxyphenyl)iminomethyl]phenol?
4-(diethylamino)-2-[(2-hydroxyphenyl)iminomethyl]phenol has a molecular weight of 284.36 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-2-[(2-hydroxyphenyl)iminomethyl]phenol is sourced from PubChem (CID 136672057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).