2-(benzylideneamino)-1-phenylpropan-1-ol

C16H17NO — CID 3342267

IUPAC2-(benzylideneamino)-1-phenylpropan-1-ol
SMILESCC(/N=C/c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C16H17NO/c1-13(16(18)15-10-6-3-7-11-15)17-12-14-8-4-2-5-9-14/h2-13,16,18H,1H3/b17-12+
InChIKeyBPIOYIWIJBWGPW-SFQUDFHCSA-N
MW239.32 g/mol
LogP3.23
Rot. Bonds4

About 2-(benzylideneamino)-1-phenylpropan-1-ol

2-(benzylideneamino)-1-phenylpropan-1-ol (PubChem CID 3342267) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(benzylideneamino)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(benzylideneamino)-1-phenylpropan-1-ol
PubChem CID3342267
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name2-(benzylideneamino)-1-phenylpropan-1-ol
SMILESCC(/N=C/c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C16H17NO/c1-13(16(18)15-10-6-3-7-11-15)17-12-14-8-4-2-5-9-14/h2-13,16,18H,1H3/b17-12+
InChIKeyBPIOYIWIJBWGPW-SFQUDFHCSA-N
XLogP3.23
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.23
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 2-(benzylideneamino)-1-phenylpropan-1-ol?
The IUPAC name of 2-(benzylideneamino)-1-phenylpropan-1-ol (CID 3342267) is 2-(benzylideneamino)-1-phenylpropan-1-ol.
What is the SMILES notation for 2-(benzylideneamino)-1-phenylpropan-1-ol?
The canonical SMILES for 2-(benzylideneamino)-1-phenylpropan-1-ol is CC(/N=C/c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of 2-(benzylideneamino)-1-phenylpropan-1-ol?
The InChIKey is BPIOYIWIJBWGPW-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H17NO/c1-13(16(18)15-10-6-3-7-11-15)17-12-14-8-4-2-5-9-14/h2-13,16,18H,1H3/b17-12+.
What are the key properties of 2-(benzylideneamino)-1-phenylpropan-1-ol?
2-(benzylideneamino)-1-phenylpropan-1-ol has a molecular weight of 239.32 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylideneamino)-1-phenylpropan-1-ol is sourced from PubChem (CID 3342267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).