1-[3-(3-fluoro-4-nitrophenoxy)phenyl]-N-methylmethanamine

C14H13FN2O3 — CID 63942917

IUPAC1-[3-(3-fluoro-4-nitrophenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(Oc2ccc([N+](=O)[O-])c(F)c2)c1
InChIInChI=1S/C14H13FN2O3/c1-16-9-10-3-2-4-11(7-10)20-12-5-6-14(17(18)19)13(15)8-12/h2-8,16H,9H2,1H3
InChIKeyZHIRJYFFRYQDII-UHFFFAOYSA-N
MW276.27 g/mol
LogP3.25
Rot. Bonds5

About 1-[3-(3-fluoro-4-nitrophenoxy)phenyl]-N-methylmethanamine

1-[3-(3-fluoro-4-nitrophenoxy)phenyl]-N-methylmethanamine (PubChem CID 63942917) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is 1-[3-(3-fluoro-4-nitrophenoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(3-fluoro-4-nitrophenoxy)phenyl]-N-methylmethanamine
PubChem CID63942917
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name1-[3-(3-fluoro-4-nitrophenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(Oc2ccc([N+](=O)[O-])c(F)c2)c1
InChIInChI=1S/C14H13FN2O3/c1-16-9-10-3-2-4-11(7-10)20-12-5-6-14(17(18)19)13(15)8-12/h2-8,16H,9H2,1H3
InChIKeyZHIRJYFFRYQDII-UHFFFAOYSA-N
XLogP3.25
TPSA64.40 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 ≤ 53.25
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

1-[3-(2,5-difluoro-4-nitrophenoxy)phenyl]-N-methylmethanamine
CID 63941746
1-[3-(4-methoxy-3-nitrophenoxy)phenyl]-N-methylmethanamine
CID 103201891
1-[6-(3-fluoro-4-nitrophenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80639067
1-[3-(3-methoxy-5-nitrophenoxy)phenyl]-N-methylmethanamine
CID 106486509
3-(3-fluoro-4-nitrophenoxy)benzoic acid
CID 63941299
1-[3-(2-chloro-5-nitrophenoxy)phenyl]-N-methylmethanamine
CID 63991383
N-methyl-1-[3-[(3-methyl-5-nitro-2-pyridinyl)oxy]phenyl]methanamine
CID 106486385
5-[3-(methoxymethyl)phenoxy]-2-nitrobenzonitrile
CID 115501554
1-ethyl-3-(4-nitrophenoxy)benzene
CID 22968899
(1S)-1-[4-(3-fluoro-4-nitrophenoxy)phenyl]ethanamine
CID 63370009
1-[4-(5-bromo-2-nitrophenoxy)phenyl]-N-methylmethanamine
CID 106486767
1-[3-(2,3-dimethyl-5-nitroimidazol-4-yl)oxyphenyl]-N-methylmethanamine
CID 106486373

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluoro-4-nitrophenoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(3-fluoro-4-nitrophenoxy)phenyl]-N-methylmethanamine (CID 63942917) is 1-[3-(3-fluoro-4-nitrophenoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(3-fluoro-4-nitrophenoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(3-fluoro-4-nitrophenoxy)phenyl]-N-methylmethanamine is CNCc1cccc(Oc2ccc([N+](=O)[O-])c(F)c2)c1.
What is the InChIKey of 1-[3-(3-fluoro-4-nitrophenoxy)phenyl]-N-methylmethanamine?
The InChIKey is ZHIRJYFFRYQDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-16-9-10-3-2-4-11(7-10)20-12-5-6-14(17(18)19)13(15)8-12/h2-8,16H,9H2,1H3.
What are the key properties of 1-[3-(3-fluoro-4-nitrophenoxy)phenyl]-N-methylmethanamine?
1-[3-(3-fluoro-4-nitrophenoxy)phenyl]-N-methylmethanamine has a molecular weight of 276.27 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluoro-4-nitrophenoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 63942917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).