1-[5-fluoro-2-(4-nitrophenoxy)phenyl]-N-methylmethanamine

C14H13FN2O3 — CID 61032416

IUPAC1-[5-fluoro-2-(4-nitrophenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)ccc1Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H13FN2O3/c1-16-9-10-8-11(15)2-7-14(10)20-13-5-3-12(4-6-13)17(18)19/h2-8,16H,9H2,1H3
InChIKeyFTJCCMAOYQNPHP-UHFFFAOYSA-N
MW276.27 g/mol
LogP3.25
Rot. Bonds5

About 1-[5-fluoro-2-(4-nitrophenoxy)phenyl]-N-methylmethanamine

1-[5-fluoro-2-(4-nitrophenoxy)phenyl]-N-methylmethanamine (PubChem CID 61032416) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is 1-[5-fluoro-2-(4-nitrophenoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-fluoro-2-(4-nitrophenoxy)phenyl]-N-methylmethanamine
PubChem CID61032416
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name1-[5-fluoro-2-(4-nitrophenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)ccc1Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H13FN2O3/c1-16-9-10-8-11(15)2-7-14(10)20-13-5-3-12(4-6-13)17(18)19/h2-8,16H,9H2,1H3
InChIKeyFTJCCMAOYQNPHP-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

2-(chloromethyl)-4-fluoro-1-(4-nitrophenoxy)benzene
CID 54915564
N-methyl-1-[2-(4-nitrophenoxy)phenyl]methanamine
CID 54915610
2,4-difluoro-1-(4-nitrophenoxy)benzene
CID 3015409
2-(chloromethyl)-1-(4-fluorophenoxy)-4-nitrobenzene
CID 28964827
1-[3-chloro-4-(4-nitrophenoxy)phenyl]-N-methylmethanamine
CID 81155419
1-[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43589963
1-[2-(2-chloro-6-nitrophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 107717664
1-[2-(4-butylphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 115492896
1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]-N-methylmethanamine
CID 43314356
1-[2-(3,5-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43622050
1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 65201228
1-[4-(2-methoxy-5-nitrophenoxy)phenyl]-N-methylmethanamine
CID 61032053

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(4-nitrophenoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-fluoro-2-(4-nitrophenoxy)phenyl]-N-methylmethanamine (CID 61032416) is 1-[5-fluoro-2-(4-nitrophenoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-fluoro-2-(4-nitrophenoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-fluoro-2-(4-nitrophenoxy)phenyl]-N-methylmethanamine is CNCc1cc(F)ccc1Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-[5-fluoro-2-(4-nitrophenoxy)phenyl]-N-methylmethanamine?
The InChIKey is FTJCCMAOYQNPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-16-9-10-8-11(15)2-7-14(10)20-13-5-3-12(4-6-13)17(18)19/h2-8,16H,9H2,1H3.
What are the key properties of 1-[5-fluoro-2-(4-nitrophenoxy)phenyl]-N-methylmethanamine?
1-[5-fluoro-2-(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-[5-fluoro-2-(4-nitrophenoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 61032416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).