2-[(3-fluoro-5-nitrophenyl)methoxy]-N-methylpropan-1-amine

C11H15FN2O3 — CID 112647871

IUPAC2-[(3-fluoro-5-nitrophenyl)methoxy]-N-methylpropan-1-amine
SMILESCNCC(C)OCc1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H15FN2O3/c1-8(6-13-2)17-7-9-3-10(12)5-11(4-9)14(15)16/h3-5,8,13H,6-7H2,1-2H3
InChIKeyJVOXOPHUPCTEDZ-UHFFFAOYSA-N
MW242.25 g/mol
LogP1.86
Rot. Bonds6

About 2-[(3-fluoro-5-nitrophenyl)methoxy]-N-methylpropan-1-amine

2-[(3-fluoro-5-nitrophenyl)methoxy]-N-methylpropan-1-amine (PubChem CID 112647871) has the molecular formula C11H15FN2O3 and a molecular weight of 242.25 g/mol. Its IUPAC name is 2-[(3-fluoro-5-nitrophenyl)methoxy]-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[(3-fluoro-5-nitrophenyl)methoxy]-N-methylpropan-1-amine
PubChem CID112647871
Molecular FormulaC11H15FN2O3
Molecular Weight242.25 g/mol
Exact Mass242.11
IUPAC Name2-[(3-fluoro-5-nitrophenyl)methoxy]-N-methylpropan-1-amine
SMILESCNCC(C)OCc1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H15FN2O3/c1-8(6-13-2)17-7-9-3-10(12)5-11(4-9)14(15)16/h3-5,8,13H,6-7H2,1-2H3
InChIKeyJVOXOPHUPCTEDZ-UHFFFAOYSA-N
XLogP1.86
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 51.86
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

N-[(3-fluoro-5-nitrophenyl)methyl]-2-methoxypropan-1-amine
CID 102698114
2-[(2,4-dinitrophenyl)methoxy]-N-methylpropan-1-amine
CID 66222006
N-[(3-fluoro-5-nitrophenyl)methyl]-4-methylpentan-1-amine
CID 112646689
1-(3-chloro-2-methylbutyl)-3-fluoro-5-nitrobenzene
CID 112649007
2-[(3-fluoro-5-nitrophenyl)methylamino]propan-1-ol
CID 112646660
N-[(3-fluoro-5-nitrophenyl)methyl]-4-propan-2-ylaniline
CID 115980258
1-(chloromethyl)-3-fluoro-5-nitrobenzene
CID 56924386
N-[(3-fluoro-5-nitrophenyl)methyl]-1-thiophen-3-ylethanamine
CID 112646749
3-fluoro-N-(2-methylsulfinylpropyl)-5-nitroaniline
CID 113484183
3-fluoro-N-(3-methylpentan-2-yl)-5-nitroaniline
CID 54950300
1-(3-fluoro-5-nitrophenyl)-4-methylpentan-3-ol
CID 112648964
methyl 2-[(3-fluoro-5-nitrophenyl)methylamino]-4-methylpentanoate
CID 115980410

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-5-nitrophenyl)methoxy]-N-methylpropan-1-amine?
The IUPAC name of 2-[(3-fluoro-5-nitrophenyl)methoxy]-N-methylpropan-1-amine (CID 112647871) is 2-[(3-fluoro-5-nitrophenyl)methoxy]-N-methylpropan-1-amine.
What is the SMILES notation for 2-[(3-fluoro-5-nitrophenyl)methoxy]-N-methylpropan-1-amine?
The canonical SMILES for 2-[(3-fluoro-5-nitrophenyl)methoxy]-N-methylpropan-1-amine is CNCC(C)OCc1cc(F)cc([N+](=O)[O-])c1.
What is the InChIKey of 2-[(3-fluoro-5-nitrophenyl)methoxy]-N-methylpropan-1-amine?
The InChIKey is JVOXOPHUPCTEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3/c1-8(6-13-2)17-7-9-3-10(12)5-11(4-9)14(15)16/h3-5,8,13H,6-7H2,1-2H3.
What are the key properties of 2-[(3-fluoro-5-nitrophenyl)methoxy]-N-methylpropan-1-amine?
2-[(3-fluoro-5-nitrophenyl)methoxy]-N-methylpropan-1-amine has a molecular weight of 242.25 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-5-nitrophenyl)methoxy]-N-methylpropan-1-amine is sourced from PubChem (CID 112647871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).