N-[1-[4-[1-(4-fluorophenyl)ethoxy]phenyl]ethyl]hydroxylamine

C16H18FNO2 — CID 19828165

IUPACN-[1-[4-[1-(4-fluorophenyl)ethoxy]phenyl]ethyl]hydroxylamine
SMILESCC(NO)c1ccc(OC(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H18FNO2/c1-11(18-19)13-5-9-16(10-6-13)20-12(2)14-3-7-15(17)8-4-14/h3-12,18-19H,1-2H3
InChIKeyQVDIECHIICIBTE-UHFFFAOYSA-N
MW275.32 g/mol
LogP4.01
Rot. Bonds5

About N-[1-[4-[1-(4-fluorophenyl)ethoxy]phenyl]ethyl]hydroxylamine

N-[1-[4-[1-(4-fluorophenyl)ethoxy]phenyl]ethyl]hydroxylamine (PubChem CID 19828165) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is N-[1-[4-[1-(4-fluorophenyl)ethoxy]phenyl]ethyl]hydroxylamine.

Molecular Properties

Compound NameN-[1-[4-[1-(4-fluorophenyl)ethoxy]phenyl]ethyl]hydroxylamine
PubChem CID19828165
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC NameN-[1-[4-[1-(4-fluorophenyl)ethoxy]phenyl]ethyl]hydroxylamine
SMILESCC(NO)c1ccc(OC(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H18FNO2/c1-11(18-19)13-5-9-16(10-6-13)20-12(2)14-3-7-15(17)8-4-14/h3-12,18-19H,1-2H3
InChIKeyQVDIECHIICIBTE-UHFFFAOYSA-N
XLogP4.01
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[1-(4-fluorophenyl)ethoxy]phenyl]ethyl]hydroxylamine?
The IUPAC name of N-[1-[4-[1-(4-fluorophenyl)ethoxy]phenyl]ethyl]hydroxylamine (CID 19828165) is N-[1-[4-[1-(4-fluorophenyl)ethoxy]phenyl]ethyl]hydroxylamine.
What is the SMILES notation for N-[1-[4-[1-(4-fluorophenyl)ethoxy]phenyl]ethyl]hydroxylamine?
The canonical SMILES for N-[1-[4-[1-(4-fluorophenyl)ethoxy]phenyl]ethyl]hydroxylamine is CC(NO)c1ccc(OC(C)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[1-[4-[1-(4-fluorophenyl)ethoxy]phenyl]ethyl]hydroxylamine?
The InChIKey is QVDIECHIICIBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-11(18-19)13-5-9-16(10-6-13)20-12(2)14-3-7-15(17)8-4-14/h3-12,18-19H,1-2H3.
What are the key properties of N-[1-[4-[1-(4-fluorophenyl)ethoxy]phenyl]ethyl]hydroxylamine?
N-[1-[4-[1-(4-fluorophenyl)ethoxy]phenyl]ethyl]hydroxylamine has a molecular weight of 275.32 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[1-(4-fluorophenyl)ethoxy]phenyl]ethyl]hydroxylamine is sourced from PubChem (CID 19828165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).