2-[4-[4-(benzylideneamino)phenyl]anilino]ethanol

C21H20N2O — CID 139903918

IUPAC2-[4-[4-(benzylideneamino)phenyl]anilino]ethanol
SMILESOCCNc1ccc(-c2ccc(/N=C/c3ccccc3)cc2)cc1
InChIInChI=1S/C21H20N2O/c24-15-14-22-20-10-6-18(7-11-20)19-8-12-21(13-9-19)23-16-17-4-2-1-3-5-17/h1-13,16,22,24H,14-15H2/b23-16+
InChIKeyVXIZWTZVGTUJAI-XQNSMLJCSA-N
MW316.40 g/mol
LogP4.51
Rot. Bonds6

About 2-[4-[4-(benzylideneamino)phenyl]anilino]ethanol

2-[4-[4-(benzylideneamino)phenyl]anilino]ethanol (PubChem CID 139903918) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[4-[4-(benzylideneamino)phenyl]anilino]ethanol.

Molecular Properties

Compound Name2-[4-[4-(benzylideneamino)phenyl]anilino]ethanol
PubChem CID139903918
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name2-[4-[4-(benzylideneamino)phenyl]anilino]ethanol
SMILESOCCNc1ccc(-c2ccc(/N=C/c3ccccc3)cc2)cc1
InChIInChI=1S/C21H20N2O/c24-15-14-22-20-10-6-18(7-11-20)19-8-12-21(13-9-19)23-16-17-4-2-1-3-5-17/h1-13,16,22,24H,14-15H2/b23-16+
InChIKeyVXIZWTZVGTUJAI-XQNSMLJCSA-N
XLogP4.51
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.51
H-Bond Donors ≤ 52
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 2-[4-[4-(benzylideneamino)phenyl]anilino]ethanol?
The IUPAC name of 2-[4-[4-(benzylideneamino)phenyl]anilino]ethanol (CID 139903918) is 2-[4-[4-(benzylideneamino)phenyl]anilino]ethanol.
What is the SMILES notation for 2-[4-[4-(benzylideneamino)phenyl]anilino]ethanol?
The canonical SMILES for 2-[4-[4-(benzylideneamino)phenyl]anilino]ethanol is OCCNc1ccc(-c2ccc(/N=C/c3ccccc3)cc2)cc1.
What is the InChIKey of 2-[4-[4-(benzylideneamino)phenyl]anilino]ethanol?
The InChIKey is VXIZWTZVGTUJAI-XQNSMLJCSA-N. The full InChI is InChI=1S/C21H20N2O/c24-15-14-22-20-10-6-18(7-11-20)19-8-12-21(13-9-19)23-16-17-4-2-1-3-5-17/h1-13,16,22,24H,14-15H2/b23-16+.
What are the key properties of 2-[4-[4-(benzylideneamino)phenyl]anilino]ethanol?
2-[4-[4-(benzylideneamino)phenyl]anilino]ethanol has a molecular weight of 316.40 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(benzylideneamino)phenyl]anilino]ethanol is sourced from PubChem (CID 139903918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).