3-(1-phenylethenylamino)oxypropan-1-ol

C11H15NO2 — CID 57138090

IUPAC3-(1-phenylethenylamino)oxypropan-1-ol
SMILESC=C(NOCCCO)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-10(12-14-9-5-8-13)11-6-3-2-4-7-11/h2-4,6-7,12-13H,1,5,8-9H2
InChIKeySJWLERCIMZTCRF-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.56
Rot. Bonds6

About 3-(1-phenylethenylamino)oxypropan-1-ol

3-(1-phenylethenylamino)oxypropan-1-ol (PubChem CID 57138090) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-(1-phenylethenylamino)oxypropan-1-ol.

Molecular Properties

Compound Name3-(1-phenylethenylamino)oxypropan-1-ol
PubChem CID57138090
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-(1-phenylethenylamino)oxypropan-1-ol
SMILESC=C(NOCCCO)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-10(12-14-9-5-8-13)11-6-3-2-4-7-11/h2-4,6-7,12-13H,1,5,8-9H2
InChIKeySJWLERCIMZTCRF-UHFFFAOYSA-N
XLogP1.56
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Phenyloxazine
CID 53643691
1-(2-fluorophenyl)-N-methoxyethenamine
CID 57082075
[3-(4-Fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazol-4-yl]methanol
CID 57113488
1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine
CID 57266923
1-(4-fluorophenyl)-N-methoxyethenamine
CID 90882872
1-phenyl-N-(2,2,2-trifluoroethoxy)ethenamine
CID 90980629
[3-(3,4-Difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91204558
[3-(4-Fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91595047
Tolyl-oxazine
CID 155490180
(E)-2-amino-2-(3-fluorophenyl)ethenol
CID 133614267
2-Amino-2-(2-fluorophenyl)ethen-1-ol
CID 155289871
3-Phenyl-2,5-dihydro-1,2-oxazole
CID 14642163

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylethenylamino)oxypropan-1-ol?
The IUPAC name of 3-(1-phenylethenylamino)oxypropan-1-ol (CID 57138090) is 3-(1-phenylethenylamino)oxypropan-1-ol.
What is the SMILES notation for 3-(1-phenylethenylamino)oxypropan-1-ol?
The canonical SMILES for 3-(1-phenylethenylamino)oxypropan-1-ol is C=C(NOCCCO)c1ccccc1.
What is the InChIKey of 3-(1-phenylethenylamino)oxypropan-1-ol?
The InChIKey is SJWLERCIMZTCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-10(12-14-9-5-8-13)11-6-3-2-4-7-11/h2-4,6-7,12-13H,1,5,8-9H2.
What are the key properties of 3-(1-phenylethenylamino)oxypropan-1-ol?
3-(1-phenylethenylamino)oxypropan-1-ol has a molecular weight of 193.25 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylethenylamino)oxypropan-1-ol is sourced from PubChem (CID 57138090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).