1-(4-fluorophenyl)-2-(phenylmethoxyamino)ethanol

C15H16FNO2 — CID 64974573

IUPAC1-(4-fluorophenyl)-2-(phenylmethoxyamino)ethanol
SMILESOC(CNOCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H16FNO2/c16-14-8-6-13(7-9-14)15(18)10-17-19-11-12-4-2-1-3-5-12/h1-9,15,17-18H,10-11H2
InChIKeyDIEUBDGJMAFBKW-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.58
Rot. Bonds6

About 1-(4-fluorophenyl)-2-(phenylmethoxyamino)ethanol

1-(4-fluorophenyl)-2-(phenylmethoxyamino)ethanol (PubChem CID 64974573) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(phenylmethoxyamino)ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(phenylmethoxyamino)ethanol
PubChem CID64974573
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name1-(4-fluorophenyl)-2-(phenylmethoxyamino)ethanol
SMILESOC(CNOCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H16FNO2/c16-14-8-6-13(7-9-14)15(18)10-17-19-11-12-4-2-1-3-5-12/h1-9,15,17-18H,10-11H2
InChIKeyDIEUBDGJMAFBKW-UHFFFAOYSA-N
XLogP2.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.58
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(phenylmethoxyamino)ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-(phenylmethoxyamino)ethanol (CID 64974573) is 1-(4-fluorophenyl)-2-(phenylmethoxyamino)ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(phenylmethoxyamino)ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-(phenylmethoxyamino)ethanol is OC(CNOCc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(phenylmethoxyamino)ethanol?
The InChIKey is DIEUBDGJMAFBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c16-14-8-6-13(7-9-14)15(18)10-17-19-11-12-4-2-1-3-5-12/h1-9,15,17-18H,10-11H2.
What are the key properties of 1-(4-fluorophenyl)-2-(phenylmethoxyamino)ethanol?
1-(4-fluorophenyl)-2-(phenylmethoxyamino)ethanol has a molecular weight of 261.30 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(phenylmethoxyamino)ethanol is sourced from PubChem (CID 64974573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).