2-(1-phenylethenylamino)oxyethanol

C10H13NO2 — CID 91501015

IUPAC2-(1-phenylethenylamino)oxyethanol
SMILESC=C(NOCCO)c1ccccc1
InChIInChI=1S/C10H13NO2/c1-9(11-13-8-7-12)10-5-3-2-4-6-10/h2-6,11-12H,1,7-8H2
InChIKeyQPIALNVKARIJJT-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.17
Rot. Bonds5

About 2-(1-phenylethenylamino)oxyethanol

2-(1-phenylethenylamino)oxyethanol (PubChem CID 91501015) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(1-phenylethenylamino)oxyethanol.

Molecular Properties

Compound Name2-(1-phenylethenylamino)oxyethanol
PubChem CID91501015
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-(1-phenylethenylamino)oxyethanol
SMILESC=C(NOCCO)c1ccccc1
InChIInChI=1S/C10H13NO2/c1-9(11-13-8-7-12)10-5-3-2-4-6-10/h2-6,11-12H,1,7-8H2
InChIKeyQPIALNVKARIJJT-UHFFFAOYSA-N
XLogP1.17
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.17
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
[3-(4-Fluorophenyl)-4-methyl-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 56986394
2-[1-[4-[4-(Trifluoromethyl)phenyl]phenyl]ethenylamino]oxyethanol
CID 57068225
1-(2-fluorophenyl)-N-methoxyethenamine
CID 57082075
2-[1-[4-(4-Fluorophenyl)phenyl]ethenylamino]oxyethanol
CID 57122048
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-Fluoro-4-iodophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91060512
[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

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylethenylamino)oxyethanol?
The IUPAC name of 2-(1-phenylethenylamino)oxyethanol (CID 91501015) is 2-(1-phenylethenylamino)oxyethanol.
What is the SMILES notation for 2-(1-phenylethenylamino)oxyethanol?
The canonical SMILES for 2-(1-phenylethenylamino)oxyethanol is C=C(NOCCO)c1ccccc1.
What is the InChIKey of 2-(1-phenylethenylamino)oxyethanol?
The InChIKey is QPIALNVKARIJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-9(11-13-8-7-12)10-5-3-2-4-6-10/h2-6,11-12H,1,7-8H2.
What are the key properties of 2-(1-phenylethenylamino)oxyethanol?
2-(1-phenylethenylamino)oxyethanol has a molecular weight of 179.22 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylethenylamino)oxyethanol is sourced from PubChem (CID 91501015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).