2-[(4-anilinophenyl)iminomethyl]-6-ethoxyphenol

C21H20N2O2 — CID 135774329

IUPAC2-[(4-anilinophenyl)iminomethyl]-6-ethoxyphenol
SMILESCCOc1cccc(/C=N/c2ccc(Nc3ccccc3)cc2)c1O
InChIInChI=1S/C21H20N2O2/c1-2-25-20-10-6-7-16(21(20)24)15-22-17-11-13-19(14-12-17)23-18-8-4-3-5-9-18/h3-15,23-24H,2H2,1H3/b22-15+
InChIKeyAIJMXVPZBPAOPD-PXLXIMEGSA-N
MW332.40 g/mol
LogP5.29
Rot. Bonds6

About 2-[(4-anilinophenyl)iminomethyl]-6-ethoxyphenol

2-[(4-anilinophenyl)iminomethyl]-6-ethoxyphenol (PubChem CID 135774329) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[(4-anilinophenyl)iminomethyl]-6-ethoxyphenol.

Molecular Properties

Compound Name2-[(4-anilinophenyl)iminomethyl]-6-ethoxyphenol
PubChem CID135774329
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name2-[(4-anilinophenyl)iminomethyl]-6-ethoxyphenol
SMILESCCOc1cccc(/C=N/c2ccc(Nc3ccccc3)cc2)c1O
InChIInChI=1S/C21H20N2O2/c1-2-25-20-10-6-7-16(21(20)24)15-22-17-11-13-19(14-12-17)23-18-8-4-3-5-9-18/h3-15,23-24H,2H2,1H3/b22-15+
InChIKeyAIJMXVPZBPAOPD-PXLXIMEGSA-N
XLogP5.29
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.40
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-6-(phenyliminomethyl)phenol
CID 135657442
2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenol
CID 169381520
2-ethoxy-6-[(4-iodophenyl)iminomethyl]phenol
CID 135595177
2-ethoxy-6-[(4-propan-2-ylphenyl)iminomethyl]phenol
CID 135657449
4-[(6-ethoxy-1,3-benzodioxol-5-yl)methylideneamino]-N-phenylaniline
CID 126103096
2-[(2,6-dimethylphenyl)iminomethyl]-6-ethoxyphenol
CID 135657455
2-methoxy-6-[[4-(4-methoxyanilino)phenyl]iminomethyl]phenol
CID 135774276
1-(2-ethoxyphenyl)-N-phenylmethanimine
CID 961492
2-ethoxy-6-(pyridin-3-yliminomethyl)phenol
CID 135840457
N-[4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenyl]-1-benzofuran-2-carboxamide
CID 135633703
methyl N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate
CID 2643022
2-ethoxy-6-[(E)-pyridin-2-yliminomethyl]phenol
CID 135515677

Frequently Asked Questions

What is the IUPAC name of 2-[(4-anilinophenyl)iminomethyl]-6-ethoxyphenol?
The IUPAC name of 2-[(4-anilinophenyl)iminomethyl]-6-ethoxyphenol (CID 135774329) is 2-[(4-anilinophenyl)iminomethyl]-6-ethoxyphenol.
What is the SMILES notation for 2-[(4-anilinophenyl)iminomethyl]-6-ethoxyphenol?
The canonical SMILES for 2-[(4-anilinophenyl)iminomethyl]-6-ethoxyphenol is CCOc1cccc(/C=N/c2ccc(Nc3ccccc3)cc2)c1O.
What is the InChIKey of 2-[(4-anilinophenyl)iminomethyl]-6-ethoxyphenol?
The InChIKey is AIJMXVPZBPAOPD-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-2-25-20-10-6-7-16(21(20)24)15-22-17-11-13-19(14-12-17)23-18-8-4-3-5-9-18/h3-15,23-24H,2H2,1H3/b22-15+.
What are the key properties of 2-[(4-anilinophenyl)iminomethyl]-6-ethoxyphenol?
2-[(4-anilinophenyl)iminomethyl]-6-ethoxyphenol has a molecular weight of 332.40 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-anilinophenyl)iminomethyl]-6-ethoxyphenol is sourced from PubChem (CID 135774329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).