(1S)-1-[3-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]ethanamine

C15H15FN2O3 — CID 63367201

IUPAC(1S)-1-[3-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]ethanamine
SMILESC[C@H](N)c1cccc(OCc2cc(F)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C15H15FN2O3/c1-10(17)11-3-2-4-14(8-11)21-9-12-7-13(16)5-6-15(12)18(19)20/h2-8,10H,9,17H2,1H3/t10-/m0/s1
InChIKeyKQMJYUMBENQMOU-JTQLQIEISA-N
MW290.29 g/mol
LogP3.33
Rot. Bonds5

About (1S)-1-[3-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]ethanamine

(1S)-1-[3-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]ethanamine (PubChem CID 63367201) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is (1S)-1-[3-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]ethanamine
PubChem CID63367201
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name(1S)-1-[3-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]ethanamine
SMILESC[C@H](N)c1cccc(OCc2cc(F)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C15H15FN2O3/c1-10(17)11-3-2-4-14(8-11)21-9-12-7-13(16)5-6-15(12)18(19)20/h2-8,10H,9,17H2,1H3/t10-/m0/s1
InChIKeyKQMJYUMBENQMOU-JTQLQIEISA-N
XLogP3.33
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.33
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

(1S)-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine
CID 63367375
(1R)-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine
CID 78937008
(1R)-1-[3-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102615235
(1S)-1-[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
CID 104894054
2-[[3-(bromomethyl)phenoxy]methyl]-4-fluoro-1-nitrobenzene
CID 43443687
(1R)-1-[3-[(2-chloro-4-nitrophenyl)methoxy]phenyl]ethanamine
CID 63368526
4-[(5-fluoro-2-nitrophenyl)methoxy]phenol
CID 43443691
N-methyl-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine
CID 60881202
1-(bromomethyl)-3-fluoro-2-[(5-fluoro-2-nitrophenyl)methoxy]benzene
CID 115956803
1-[4-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]-N-methylmethanamine
CID 60878936
(5-fluoro-2-nitrophenyl)methyl 2-aminobutanoate
CID 174467122
4-fluoro-2-[(2-iodophenoxy)methyl]-1-nitrobenzene
CID 47230967

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[3-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]ethanamine (CID 63367201) is (1S)-1-[3-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[3-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[3-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]ethanamine is C[C@H](N)c1cccc(OCc2cc(F)ccc2[N+](=O)[O-])c1.
What is the InChIKey of (1S)-1-[3-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]ethanamine?
The InChIKey is KQMJYUMBENQMOU-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-10(17)11-3-2-4-14(8-11)21-9-12-7-13(16)5-6-15(12)18(19)20/h2-8,10H,9,17H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-[3-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]ethanamine?
(1S)-1-[3-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]ethanamine has a molecular weight of 290.29 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 63367201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).