4-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]phenol

C22H22N2O — CID 2357681

IUPAC4-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]phenol
SMILESCCN(Cc1ccccc1)c1ccc(/C=N/c2ccc(O)cc2)cc1
InChIInChI=1S/C22H22N2O/c1-2-24(17-19-6-4-3-5-7-19)21-12-8-18(9-13-21)16-23-20-10-14-22(25)15-11-20/h3-16,25H,2,17H2,1H3/b23-16+
InChIKeyCESIGHVVAVAMAL-XQNSMLJCSA-N
MW330.43 g/mol
LogP5.17
Rot. Bonds6

About 4-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]phenol

4-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]phenol (PubChem CID 2357681) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]phenol.

Molecular Properties

Compound Name4-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]phenol
PubChem CID2357681
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name4-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]phenol
SMILESCCN(Cc1ccccc1)c1ccc(/C=N/c2ccc(O)cc2)cc1
InChIInChI=1S/C22H22N2O/c1-2-24(17-19-6-4-3-5-7-19)21-12-8-18(9-13-21)16-23-20-10-14-22(25)15-11-20/h3-16,25H,2,17H2,1H3/b23-16+
InChIKeyCESIGHVVAVAMAL-XQNSMLJCSA-N
XLogP5.17
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]phenol?
The IUPAC name of 4-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]phenol (CID 2357681) is 4-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]phenol.
What is the SMILES notation for 4-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]phenol?
The canonical SMILES for 4-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]phenol is CCN(Cc1ccccc1)c1ccc(/C=N/c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]phenol?
The InChIKey is CESIGHVVAVAMAL-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H22N2O/c1-2-24(17-19-6-4-3-5-7-19)21-12-8-18(9-13-21)16-23-20-10-14-22(25)15-11-20/h3-16,25H,2,17H2,1H3/b23-16+.
What are the key properties of 4-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]phenol?
4-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]phenol has a molecular weight of 330.43 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]phenol is sourced from PubChem (CID 2357681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).