(E)-1-(4-fluorophenyl)-N-[(2-methyl-3-nitrophenyl)methoxy]methanimine

C15H13FN2O3 — CID 60523382

IUPAC(E)-1-(4-fluorophenyl)-N-[(2-methyl-3-nitrophenyl)methoxy]methanimine
SMILESCc1c(CO/N=C/c2ccc(F)cc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H13FN2O3/c1-11-13(3-2-4-15(11)18(19)20)10-21-17-9-12-5-7-14(16)8-6-12/h2-9H,10H2,1H3/b17-9+
InChIKeyGDMGJBOHGAKEKX-RQZCQDPDSA-N
MW288.28 g/mol
LogP3.59
Rot. Bonds5

About (E)-1-(4-fluorophenyl)-N-[(2-methyl-3-nitrophenyl)methoxy]methanimine

(E)-1-(4-fluorophenyl)-N-[(2-methyl-3-nitrophenyl)methoxy]methanimine (PubChem CID 60523382) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is (E)-1-(4-fluorophenyl)-N-[(2-methyl-3-nitrophenyl)methoxy]methanimine.

Molecular Properties

Compound Name(E)-1-(4-fluorophenyl)-N-[(2-methyl-3-nitrophenyl)methoxy]methanimine
PubChem CID60523382
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name(E)-1-(4-fluorophenyl)-N-[(2-methyl-3-nitrophenyl)methoxy]methanimine
SMILESCc1c(CO/N=C/c2ccc(F)cc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H13FN2O3/c1-11-13(3-2-4-15(11)18(19)20)10-21-17-9-12-5-7-14(16)8-6-12/h2-9H,10H2,1H3/b17-9+
InChIKeyGDMGJBOHGAKEKX-RQZCQDPDSA-N
XLogP3.59
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-1-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]benzene
CID 107662001
1-(2-fluoroethoxymethyl)-2-methyl-3-nitrobenzene
CID 15058786
N-[2-(2-methyl-3-nitrophenyl)ethoxy]methanimine
CID 141443680
3-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]piperidine
CID 107385834
2-[2-[(2-methyl-3-nitrophenyl)methoxy]phenoxy]ethanol
CID 110891830
4-fluoro-2-methyl-N-[(2-methyl-3-nitrophenyl)methyl]aniline
CID 43509021
1-(4-fluorophenyl)-2-(2-methyl-3-nitrophenoxy)ethanol
CID 109415938
(2-methyl-3-nitrophenyl)methanesulfonyl fluoride
CID 165461369
N-methyl-1-(2-methyl-3-nitrophenyl)methanamine
CID 43508926
4-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]piperidine
CID 102954275
methyl 2-(2-methyl-3-nitrophenyl)acetate
CID 74891097
N-[(4-bromo-2-fluorophenyl)methoxy]-1-(4-fluorophenyl)methanimine
CID 76856145

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-fluorophenyl)-N-[(2-methyl-3-nitrophenyl)methoxy]methanimine?
The IUPAC name of (E)-1-(4-fluorophenyl)-N-[(2-methyl-3-nitrophenyl)methoxy]methanimine (CID 60523382) is (E)-1-(4-fluorophenyl)-N-[(2-methyl-3-nitrophenyl)methoxy]methanimine.
What is the SMILES notation for (E)-1-(4-fluorophenyl)-N-[(2-methyl-3-nitrophenyl)methoxy]methanimine?
The canonical SMILES for (E)-1-(4-fluorophenyl)-N-[(2-methyl-3-nitrophenyl)methoxy]methanimine is Cc1c(CO/N=C/c2ccc(F)cc2)cccc1[N+](=O)[O-].
What is the InChIKey of (E)-1-(4-fluorophenyl)-N-[(2-methyl-3-nitrophenyl)methoxy]methanimine?
The InChIKey is GDMGJBOHGAKEKX-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H13FN2O3/c1-11-13(3-2-4-15(11)18(19)20)10-21-17-9-12-5-7-14(16)8-6-12/h2-9H,10H2,1H3/b17-9+.
What are the key properties of (E)-1-(4-fluorophenyl)-N-[(2-methyl-3-nitrophenyl)methoxy]methanimine?
(E)-1-(4-fluorophenyl)-N-[(2-methyl-3-nitrophenyl)methoxy]methanimine has a molecular weight of 288.28 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-fluorophenyl)-N-[(2-methyl-3-nitrophenyl)methoxy]methanimine is sourced from PubChem (CID 60523382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).