2-[1-[4-(4-methylphenyl)phenyl]ethenylamino]oxyethanol

C17H19NO2 — CID 57280057

IUPAC2-[1-[4-(4-methylphenyl)phenyl]ethenylamino]oxyethanol
SMILESC=C(NOCCO)c1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C17H19NO2/c1-13-3-5-16(6-4-13)17-9-7-15(8-10-17)14(2)18-20-12-11-19/h3-10,18-19H,2,11-12H2,1H3
InChIKeyCUDZQXZSKWIJDF-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.15
Rot. Bonds6

About 2-[1-[4-(4-methylphenyl)phenyl]ethenylamino]oxyethanol

2-[1-[4-(4-methylphenyl)phenyl]ethenylamino]oxyethanol (PubChem CID 57280057) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[1-[4-(4-methylphenyl)phenyl]ethenylamino]oxyethanol.

Molecular Properties

Compound Name2-[1-[4-(4-methylphenyl)phenyl]ethenylamino]oxyethanol
PubChem CID57280057
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-[1-[4-(4-methylphenyl)phenyl]ethenylamino]oxyethanol
SMILESC=C(NOCCO)c1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C17H19NO2/c1-13-3-5-16(6-4-13)17-9-7-15(8-10-17)14(2)18-20-12-11-19/h3-10,18-19H,2,11-12H2,1H3
InChIKeyCUDZQXZSKWIJDF-UHFFFAOYSA-N
XLogP3.15
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.15
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

2-[1-[4-[4-(Trifluoromethyl)phenyl]phenyl]ethenylamino]oxyethanol
CID 57068225
2-[1-[4-(4-Fluorophenyl)phenyl]ethenylamino]oxyethanol
CID 57122048
2-[1-[4-(4-Fluorophenyl)phenyl]ethenylamino]oxyethyl methanesulfonate
CID 91464018
[3-[3-Fluoro-4-[2-fluoro-4-[5-(hydroxymethyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91476454
1-[2-fluoro-4-(2-methylphenyl)phenyl]-N-methoxyethenamine
CID 123257125
N-ethoxy-1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]ethenamine
CID 123505490
N-ethoxy-1-[2-fluoro-4-(2-methylphenyl)phenyl]ethenamine
CID 123805238
(S)-N-(1-([1,1'-biphenyl]-4-yl)ethyl)-O-ethylhydroxylamine
CID 163358844
2-(1-Naphthalen-2-ylethenylamino)oxyethanol
CID 57035199
5-(1,2-Diphenylethenylamino)oxynonan-2-ol
CID 57086106
N-methoxy-1-(4-phenylphenyl)ethenamine
CID 57139262
N-methoxy-2-(4-methylphenyl)-1-phenylethenamine
CID 57173379

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(4-methylphenyl)phenyl]ethenylamino]oxyethanol?
The IUPAC name of 2-[1-[4-(4-methylphenyl)phenyl]ethenylamino]oxyethanol (CID 57280057) is 2-[1-[4-(4-methylphenyl)phenyl]ethenylamino]oxyethanol.
What is the SMILES notation for 2-[1-[4-(4-methylphenyl)phenyl]ethenylamino]oxyethanol?
The canonical SMILES for 2-[1-[4-(4-methylphenyl)phenyl]ethenylamino]oxyethanol is C=C(NOCCO)c1ccc(-c2ccc(C)cc2)cc1.
What is the InChIKey of 2-[1-[4-(4-methylphenyl)phenyl]ethenylamino]oxyethanol?
The InChIKey is CUDZQXZSKWIJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-13-3-5-16(6-4-13)17-9-7-15(8-10-17)14(2)18-20-12-11-19/h3-10,18-19H,2,11-12H2,1H3.
What are the key properties of 2-[1-[4-(4-methylphenyl)phenyl]ethenylamino]oxyethanol?
2-[1-[4-(4-methylphenyl)phenyl]ethenylamino]oxyethanol has a molecular weight of 269.34 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(4-methylphenyl)phenyl]ethenylamino]oxyethanol is sourced from PubChem (CID 57280057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).