[3-(2-fluoro-4-nitrophenoxy)-4-methylphenyl]methanamine

C14H13FN2O3 — CID 105407172

IUPAC[3-(2-fluoro-4-nitrophenoxy)-4-methylphenyl]methanamine
SMILESCc1ccc(CN)cc1Oc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C14H13FN2O3/c1-9-2-3-10(8-16)6-14(9)20-13-5-4-11(17(18)19)7-12(13)15/h2-7H,8,16H2,1H3
InChIKeyTUERZUVYPPBNQV-UHFFFAOYSA-N
MW276.27 g/mol
LogP3.29
Rot. Bonds4

About [3-(2-fluoro-4-nitrophenoxy)-4-methylphenyl]methanamine

[3-(2-fluoro-4-nitrophenoxy)-4-methylphenyl]methanamine (PubChem CID 105407172) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is [3-(2-fluoro-4-nitrophenoxy)-4-methylphenyl]methanamine.

Molecular Properties

Compound Name[3-(2-fluoro-4-nitrophenoxy)-4-methylphenyl]methanamine
PubChem CID105407172
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name[3-(2-fluoro-4-nitrophenoxy)-4-methylphenyl]methanamine
SMILESCc1ccc(CN)cc1Oc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C14H13FN2O3/c1-9-2-3-10(8-16)6-14(9)20-13-5-4-11(17(18)19)7-12(13)15/h2-7H,8,16H2,1H3
InChIKeyTUERZUVYPPBNQV-UHFFFAOYSA-N
XLogP3.29
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 53.29
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-[4-(bromomethyl)-2-fluorophenoxy]-1-methyl-4-nitrobenzene
CID 107088099
2-[4-(chloromethyl)-2-fluorophenoxy]-1-methyl-4-nitrobenzene
CID 61032468
[4-(2-chloro-5-nitrophenoxy)-3-fluorophenyl]methanamine
CID 63992772
1-(2-fluoro-4-nitrophenoxy)-2,4-dimethylbenzene
CID 101232592
[3-(4-bromo-2-nitrophenoxy)-4-methylphenyl]methanamine
CID 105407397
[4-(2-fluoro-5-methyl-4-nitrophenoxy)-3-methylphenyl]methanamine
CID 114417368
[3-fluoro-4-(5-methyl-2-nitrophenoxy)phenyl]methanamine
CID 61031147
(1R)-1-[3-fluoro-4-(2-methyl-5-nitrophenoxy)phenyl]ethanol
CID 63374956
[3-fluoro-4-(5-methoxy-2-nitrophenoxy)phenyl]methanamine
CID 102702881
2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene
CID 154791901
4-(2-fluoro-4-nitrophenoxy)-3-methylbenzonitrile
CID 51892162
2-chloro-4-(2-fluoro-4-nitrophenoxy)-1-methylbenzene
CID 154939680

Frequently Asked Questions

What is the IUPAC name of [3-(2-fluoro-4-nitrophenoxy)-4-methylphenyl]methanamine?
The IUPAC name of [3-(2-fluoro-4-nitrophenoxy)-4-methylphenyl]methanamine (CID 105407172) is [3-(2-fluoro-4-nitrophenoxy)-4-methylphenyl]methanamine.
What is the SMILES notation for [3-(2-fluoro-4-nitrophenoxy)-4-methylphenyl]methanamine?
The canonical SMILES for [3-(2-fluoro-4-nitrophenoxy)-4-methylphenyl]methanamine is Cc1ccc(CN)cc1Oc1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of [3-(2-fluoro-4-nitrophenoxy)-4-methylphenyl]methanamine?
The InChIKey is TUERZUVYPPBNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-9-2-3-10(8-16)6-14(9)20-13-5-4-11(17(18)19)7-12(13)15/h2-7H,8,16H2,1H3.
What are the key properties of [3-(2-fluoro-4-nitrophenoxy)-4-methylphenyl]methanamine?
[3-(2-fluoro-4-nitrophenoxy)-4-methylphenyl]methanamine has a molecular weight of 276.27 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluoro-4-nitrophenoxy)-4-methylphenyl]methanamine is sourced from PubChem (CID 105407172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).