1-phenyl-2-[[(E)-3-phenylprop-2-enylidene]amino]ethanol

C17H17NO — CID 6186680

IUPAC1-phenyl-2-[[(E)-3-phenylprop-2-enylidene]amino]ethanol
SMILESOC(C/N=C/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO/c19-17(16-11-5-2-6-12-16)14-18-13-7-10-15-8-3-1-4-9-15/h1-13,17,19H,14H2/b10-7+,18-13+
InChIKeyYQVIYXPHRROHEK-CVUDBVLYSA-N
MW251.33 g/mol
LogP3.50
Rot. Bonds5

About 1-phenyl-2-[[(E)-3-phenylprop-2-enylidene]amino]ethanol

1-phenyl-2-[[(E)-3-phenylprop-2-enylidene]amino]ethanol (PubChem CID 6186680) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-phenyl-2-[[(E)-3-phenylprop-2-enylidene]amino]ethanol.

Molecular Properties

Compound Name1-phenyl-2-[[(E)-3-phenylprop-2-enylidene]amino]ethanol
PubChem CID6186680
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name1-phenyl-2-[[(E)-3-phenylprop-2-enylidene]amino]ethanol
SMILESOC(C/N=C/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO/c19-17(16-11-5-2-6-12-16)14-18-13-7-10-15-8-3-1-4-9-15/h1-13,17,19H,14H2/b10-7+,18-13+
InChIKeyYQVIYXPHRROHEK-CVUDBVLYSA-N
XLogP3.50
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-phenyl-2-[[(E)-3-phenylprop-2-enylidene]amino]ethanol?
The IUPAC name of 1-phenyl-2-[[(E)-3-phenylprop-2-enylidene]amino]ethanol (CID 6186680) is 1-phenyl-2-[[(E)-3-phenylprop-2-enylidene]amino]ethanol.
What is the SMILES notation for 1-phenyl-2-[[(E)-3-phenylprop-2-enylidene]amino]ethanol?
The canonical SMILES for 1-phenyl-2-[[(E)-3-phenylprop-2-enylidene]amino]ethanol is OC(C/N=C/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[[(E)-3-phenylprop-2-enylidene]amino]ethanol?
The InChIKey is YQVIYXPHRROHEK-CVUDBVLYSA-N. The full InChI is InChI=1S/C17H17NO/c19-17(16-11-5-2-6-12-16)14-18-13-7-10-15-8-3-1-4-9-15/h1-13,17,19H,14H2/b10-7+,18-13+.
What are the key properties of 1-phenyl-2-[[(E)-3-phenylprop-2-enylidene]amino]ethanol?
1-phenyl-2-[[(E)-3-phenylprop-2-enylidene]amino]ethanol has a molecular weight of 251.33 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[[(E)-3-phenylprop-2-enylidene]amino]ethanol is sourced from PubChem (CID 6186680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).