1-[4-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]-N-methylmethanamine

C15H15FN2O3 — CID 60878936

IUPAC1-[4-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCc2cc(F)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H15FN2O3/c1-17-9-11-2-5-14(6-3-11)21-10-12-8-13(16)4-7-15(12)18(19)20/h2-8,17H,9-10H2,1H3
InChIKeyIMPAKHWFFNPQBX-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.03
Rot. Bonds6

About 1-[4-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]-N-methylmethanamine

1-[4-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 60878936) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 1-[4-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]-N-methylmethanamine
PubChem CID60878936
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name1-[4-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCc2cc(F)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H15FN2O3/c1-17-9-11-2-5-14(6-3-11)21-10-12-8-13(16)4-7-15(12)18(19)20/h2-8,17H,9-10H2,1H3
InChIKeyIMPAKHWFFNPQBX-UHFFFAOYSA-N
XLogP3.03
TPSA64.40 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 ≤ 53.03
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

4-[(5-fluoro-2-nitrophenyl)methoxy]phenol
CID 43443691
N-[(5-fluoro-2-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 43443534
2-[[3-(bromomethyl)phenoxy]methyl]-4-fluoro-1-nitrobenzene
CID 43443687
1-[4-fluoro-3-[(4-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 107457393
2-(bromomethyl)-5-[(5-fluoro-2-nitrophenyl)methoxy]pyridine
CID 79800306
2-bromo-5-[(5-fluoro-2-nitrophenyl)methoxy]benzaldehyde
CID 81497136
1-[5-fluoro-2-(4-nitrophenoxy)phenyl]-N-methylmethanamine
CID 61032416
(1S)-1-[3-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]ethanamine
CID 63367201
1-[6-(5-fluoro-2-nitrophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 80633902
3-fluoro-4-[(5-fluoro-2-nitrophenyl)methoxy]benzonitrile
CID 103792151
4-nitro-3-[(4-nitrophenoxy)methyl]aniline
CID 101418307
4-fluoro-2-[(2-iodophenoxy)methyl]-1-nitrobenzene
CID 47230967

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]-N-methylmethanamine (CID 60878936) is 1-[4-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]-N-methylmethanamine is CNCc1ccc(OCc2cc(F)ccc2[N+](=O)[O-])cc1.
What is the InChIKey of 1-[4-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is IMPAKHWFFNPQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-17-9-11-2-5-14(6-3-11)21-10-12-8-13(16)4-7-15(12)18(19)20/h2-8,17H,9-10H2,1H3.
What are the key properties of 1-[4-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]-N-methylmethanamine?
1-[4-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 290.29 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 60878936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).