2-[2-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]ethanamine

C15H15FN2O3 — CID 60905408

IUPAC2-[2-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]ethanamine
SMILESNCCc1ccccc1OCc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H15FN2O3/c16-13-5-6-14(18(19)20)12(9-13)10-21-15-4-2-1-3-11(15)7-8-17/h1-6,9H,7-8,10,17H2
InChIKeyQUYSBTMBCLBAEN-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.81
Rot. Bonds6

About 2-[2-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]ethanamine

2-[2-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]ethanamine (PubChem CID 60905408) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-[2-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]ethanamine
PubChem CID60905408
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name2-[2-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]ethanamine
SMILESNCCc1ccccc1OCc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H15FN2O3/c16-13-5-6-14(18(19)20)12(9-13)10-21-15-4-2-1-3-11(15)7-8-17/h1-6,9H,7-8,10,17H2
InChIKeyQUYSBTMBCLBAEN-UHFFFAOYSA-N
XLogP2.81
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(chloromethyl)phenoxy]methyl]-4-fluoro-1-nitrobenzene
CID 43443680
4-fluoro-2-[(2-iodophenoxy)methyl]-1-nitrobenzene
CID 47230967
1-(bromomethyl)-3-fluoro-2-[(5-fluoro-2-nitrophenyl)methoxy]benzene
CID 115956803
3-(5-fluoro-2-nitrophenyl)propan-1-amine
CID 43445800
3-[(5-fluoro-2-nitrophenyl)methoxy]propan-1-amine
CID 62344042
3-fluoro-4-[(5-fluoro-2-nitrophenyl)methoxy]benzonitrile
CID 103792151
2-(bromomethyl)-1-chloro-3-[(5-fluoro-2-nitrophenyl)methoxy]benzene
CID 114320904
2-[2-[(2,5-difluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 107700281
4-[(5-fluoro-2-nitrophenyl)methoxy]phenol
CID 43443691
1-[(2,5-difluorophenoxy)methyl]-2-fluoro-3-nitrobenzene
CID 107348727
2-[2-chloro-6-[(2-nitrophenyl)methoxy]phenyl]ethanamine
CID 114321460
2-bromo-1-[(5-fluoro-2-nitrophenyl)methoxy]-4-methylbenzene
CID 43443648

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[2-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]ethanamine (CID 60905408) is 2-[2-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[2-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[2-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]ethanamine is NCCc1ccccc1OCc1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of 2-[2-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]ethanamine?
The InChIKey is QUYSBTMBCLBAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c16-13-5-6-14(18(19)20)12(9-13)10-21-15-4-2-1-3-11(15)7-8-17/h1-6,9H,7-8,10,17H2.
What are the key properties of 2-[2-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]ethanamine?
2-[2-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]ethanamine has a molecular weight of 290.29 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 60905408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).