[5-fluoro-2-[(4-nitrophenyl)methoxy]phenyl]methanamine

C14H13FN2O3 — CID 107694802

IUPAC[5-fluoro-2-[(4-nitrophenyl)methoxy]phenyl]methanamine
SMILESNCc1cc(F)ccc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H13FN2O3/c15-12-3-6-14(11(7-12)8-16)20-9-10-1-4-13(5-2-10)17(18)19/h1-7H,8-9,16H2
InChIKeyHDVHRWDRFPTICS-UHFFFAOYSA-N
MW276.27 g/mol
LogP2.77
Rot. Bonds5

About [5-fluoro-2-[(4-nitrophenyl)methoxy]phenyl]methanamine

[5-fluoro-2-[(4-nitrophenyl)methoxy]phenyl]methanamine (PubChem CID 107694802) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is [5-fluoro-2-[(4-nitrophenyl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[5-fluoro-2-[(4-nitrophenyl)methoxy]phenyl]methanamine
PubChem CID107694802
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name[5-fluoro-2-[(4-nitrophenyl)methoxy]phenyl]methanamine
SMILESNCc1cc(F)ccc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H13FN2O3/c15-12-3-6-14(11(7-12)8-16)20-9-10-1-4-13(5-2-10)17(18)19/h1-7H,8-9,16H2
InChIKeyHDVHRWDRFPTICS-UHFFFAOYSA-N
XLogP2.77
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 52.77
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

[5-fluoro-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 107694821
2-[5-bromo-2-[(4-nitrophenyl)methoxy]phenyl]ethanamine
CID 60904816
[2-[(5-chloro-2-fluorophenyl)methoxy]-5-nitrophenyl]methanamine
CID 103046384
2-(chloromethyl)-4-methyl-1-[(4-nitrophenyl)methoxy]benzene
CID 63325775
4-(chloromethyl)-2-fluoro-1-[(4-nitrophenyl)methoxy]benzene
CID 107691106
[2-[(3-bromo-4-fluorophenyl)methoxy]-5-fluorophenyl]methanamine
CID 107695003
1-fluoro-3-[(4-nitrophenyl)methoxy]benzene
CID 22137955
[2-[(5-methyl-3-pyridinyl)methoxy]-5-nitrophenyl]methanamine
CID 102880371
(2-ethoxy-5-nitrophenyl)methanamine
CID 43472563
2-(bromomethyl)-1-[(3,5-difluorophenyl)methoxy]-4-nitrobenzene
CID 105404309
2-bromo-1-[[2-(bromomethyl)-4-fluorophenoxy]methyl]-4-nitrobenzene
CID 107699082
(4-nitrophenyl)methyl 2-(2-bromo-4-fluorophenoxy)acetate
CID 8525774

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-[(4-nitrophenyl)methoxy]phenyl]methanamine?
The IUPAC name of [5-fluoro-2-[(4-nitrophenyl)methoxy]phenyl]methanamine (CID 107694802) is [5-fluoro-2-[(4-nitrophenyl)methoxy]phenyl]methanamine.
What is the SMILES notation for [5-fluoro-2-[(4-nitrophenyl)methoxy]phenyl]methanamine?
The canonical SMILES for [5-fluoro-2-[(4-nitrophenyl)methoxy]phenyl]methanamine is NCc1cc(F)ccc1OCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of [5-fluoro-2-[(4-nitrophenyl)methoxy]phenyl]methanamine?
The InChIKey is HDVHRWDRFPTICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c15-12-3-6-14(11(7-12)8-16)20-9-10-1-4-13(5-2-10)17(18)19/h1-7H,8-9,16H2.
What are the key properties of [5-fluoro-2-[(4-nitrophenyl)methoxy]phenyl]methanamine?
[5-fluoro-2-[(4-nitrophenyl)methoxy]phenyl]methanamine has a molecular weight of 276.27 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-[(4-nitrophenyl)methoxy]phenyl]methanamine is sourced from PubChem (CID 107694802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).