1-(1-phenylpropylideneamino)ethanol

C11H15NO — CID 174080576

IUPAC1-(1-phenylpropylideneamino)ethanol
SMILESCCC(=NC(C)O)c1ccccc1
InChIInChI=1S/C11H15NO/c1-3-11(12-9(2)13)10-7-5-4-6-8-10/h4-9,13H,3H2,1-2H3
InChIKeySDAUMGUPCRFXKP-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.22
Rot. Bonds3

About 1-(1-phenylpropylideneamino)ethanol

1-(1-phenylpropylideneamino)ethanol (PubChem CID 174080576) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-(1-phenylpropylideneamino)ethanol.

Molecular Properties

Compound Name1-(1-phenylpropylideneamino)ethanol
PubChem CID174080576
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-(1-phenylpropylideneamino)ethanol
SMILESCCC(=NC(C)O)c1ccccc1
InChIInChI=1S/C11H15NO/c1-3-11(12-9(2)13)10-7-5-4-6-8-10/h4-9,13H,3H2,1-2H3
InChIKeySDAUMGUPCRFXKP-UHFFFAOYSA-N
XLogP2.22
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.22
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-(1-phenylpropylideneamino)ethanol?
The IUPAC name of 1-(1-phenylpropylideneamino)ethanol (CID 174080576) is 1-(1-phenylpropylideneamino)ethanol.
What is the SMILES notation for 1-(1-phenylpropylideneamino)ethanol?
The canonical SMILES for 1-(1-phenylpropylideneamino)ethanol is CCC(=NC(C)O)c1ccccc1.
What is the InChIKey of 1-(1-phenylpropylideneamino)ethanol?
The InChIKey is SDAUMGUPCRFXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-11(12-9(2)13)10-7-5-4-6-8-10/h4-9,13H,3H2,1-2H3.
What are the key properties of 1-(1-phenylpropylideneamino)ethanol?
1-(1-phenylpropylideneamino)ethanol has a molecular weight of 177.25 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpropylideneamino)ethanol is sourced from PubChem (CID 174080576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).