1-[3-fluoro-5-(4-methyl-2-nitrophenoxy)phenyl]-N-methylmethanamine

C15H15FN2O3 — CID 106531281

IUPAC1-[3-fluoro-5-(4-methyl-2-nitrophenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)cc(Oc2ccc(C)cc2[N+](=O)[O-])c1
InChIInChI=1S/C15H15FN2O3/c1-10-3-4-15(14(5-10)18(19)20)21-13-7-11(9-17-2)6-12(16)8-13/h3-8,17H,9H2,1-2H3
InChIKeyWNWJOMHOGGVMTR-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.55
Rot. Bonds5

About 1-[3-fluoro-5-(4-methyl-2-nitrophenoxy)phenyl]-N-methylmethanamine

1-[3-fluoro-5-(4-methyl-2-nitrophenoxy)phenyl]-N-methylmethanamine (PubChem CID 106531281) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 1-[3-fluoro-5-(4-methyl-2-nitrophenoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-fluoro-5-(4-methyl-2-nitrophenoxy)phenyl]-N-methylmethanamine
PubChem CID106531281
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name1-[3-fluoro-5-(4-methyl-2-nitrophenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)cc(Oc2ccc(C)cc2[N+](=O)[O-])c1
InChIInChI=1S/C15H15FN2O3/c1-10-3-4-15(14(5-10)18(19)20)21-13-7-11(9-17-2)6-12(16)8-13/h3-8,17H,9H2,1-2H3
InChIKeyWNWJOMHOGGVMTR-UHFFFAOYSA-N
XLogP3.55
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.55
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-(4-fluorophenoxy)-4-methyl-2-nitrobenzene
CID 133413588
[3-fluoro-5-(4-fluoro-2-nitrophenoxy)phenyl]methanamine
CID 106531299
4-methyl-1-(4-methyl-2-nitrophenoxy)-2-nitrobenzene
CID 19897914
1-[4-(chloromethyl)phenoxy]-4-methyl-2-nitrobenzene
CID 61312029
1-[3-(2,4-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531214
1-[3-chloro-4-(5-methyl-2-nitrophenoxy)phenyl]-N-methylmethanamine
CID 81151382
1-(3-fluoro-5-nitrophenoxy)-2,4-dimethylbenzene
CID 80752885
1-[3-(2,5-difluoro-4-nitrophenoxy)phenyl]-N-methylmethanamine
CID 63941746
N-methyl-1-[4-methyl-3-(5-methyl-2-nitrophenoxy)phenyl]methanamine
CID 105407132
N-methyl-5-(4-methyl-2-nitrophenoxy)pyridin-3-amine
CID 104536674
1-[4-(3,5-difluorophenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 55112432
4-(3-cyano-5-fluorophenoxy)-3-nitrobenzonitrile
CID 102818063

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-(4-methyl-2-nitrophenoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-fluoro-5-(4-methyl-2-nitrophenoxy)phenyl]-N-methylmethanamine (CID 106531281) is 1-[3-fluoro-5-(4-methyl-2-nitrophenoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-fluoro-5-(4-methyl-2-nitrophenoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-fluoro-5-(4-methyl-2-nitrophenoxy)phenyl]-N-methylmethanamine is CNCc1cc(F)cc(Oc2ccc(C)cc2[N+](=O)[O-])c1.
What is the InChIKey of 1-[3-fluoro-5-(4-methyl-2-nitrophenoxy)phenyl]-N-methylmethanamine?
The InChIKey is WNWJOMHOGGVMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-10-3-4-15(14(5-10)18(19)20)21-13-7-11(9-17-2)6-12(16)8-13/h3-8,17H,9H2,1-2H3.
What are the key properties of 1-[3-fluoro-5-(4-methyl-2-nitrophenoxy)phenyl]-N-methylmethanamine?
1-[3-fluoro-5-(4-methyl-2-nitrophenoxy)phenyl]-N-methylmethanamine has a molecular weight of 290.29 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-(4-methyl-2-nitrophenoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 106531281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).