N-methyl-1-[3-[(3-methyl-5-nitro-2-pyridinyl)oxy]phenyl]methanamine

C14H15N3O3 — CID 106486385

IUPACN-methyl-1-[3-[(3-methyl-5-nitro-2-pyridinyl)oxy]phenyl]methanamine
SMILESCNCc1cccc(Oc2ncc([N+](=O)[O-])cc2C)c1
InChIInChI=1S/C14H15N3O3/c1-10-6-12(17(18)19)9-16-14(10)20-13-5-3-4-11(7-13)8-15-2/h3-7,9,15H,8H2,1-2H3
InChIKeyGENJLKNNFGDERW-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.81
Rot. Bonds5

About N-methyl-1-[3-[(3-methyl-5-nitro-2-pyridinyl)oxy]phenyl]methanamine

N-methyl-1-[3-[(3-methyl-5-nitro-2-pyridinyl)oxy]phenyl]methanamine (PubChem CID 106486385) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-methyl-1-[3-[(3-methyl-5-nitro-2-pyridinyl)oxy]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[(3-methyl-5-nitro-2-pyridinyl)oxy]phenyl]methanamine
PubChem CID106486385
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-methyl-1-[3-[(3-methyl-5-nitro-2-pyridinyl)oxy]phenyl]methanamine
SMILESCNCc1cccc(Oc2ncc([N+](=O)[O-])cc2C)c1
InChIInChI=1S/C14H15N3O3/c1-10-6-12(17(18)19)9-16-14(10)20-13-5-3-4-11(7-13)8-15-2/h3-7,9,15H,8H2,1-2H3
InChIKeyGENJLKNNFGDERW-UHFFFAOYSA-N
XLogP2.81
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3-methoxy-5-nitrophenoxy)phenyl]-N-methylmethanamine
CID 106486509
1-[6-(3-fluoro-4-nitrophenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80639067
[5-methyl-6-(3-nitrophenoxy)-3-pyridinyl]methanol
CID 80629220
5-(chloromethyl)-3-methyl-2-(3-nitrophenoxy)pyridine
CID 80627929
1-[3-(2-chloro-5-nitrophenoxy)phenyl]-N-methylmethanamine
CID 63991383
N-methyl-1-[6-(3-nitrophenoxy)-3-pyridinyl]methanamine
CID 80633675
N-methyl-1-(3-nitrophenyl)methanamine;hydrochloride
CID 522947
N-methyl-1-[3-(5-methylpyrimidin-2-yl)oxyphenyl]methanamine
CID 106486575
1-[3-(2,3-dimethyl-5-nitroimidazol-4-yl)oxyphenyl]-N-methylmethanamine
CID 106486373
1-[3-(3-fluoro-4-nitrophenoxy)phenyl]-N-methylmethanamine
CID 63942917
1-[6-(3,4-dimethylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80635573
5-methyl-6-(4-nitrophenoxy)pyridine-3-carbaldehyde
CID 80631386

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[(3-methyl-5-nitro-2-pyridinyl)oxy]phenyl]methanamine?
The IUPAC name of N-methyl-1-[3-[(3-methyl-5-nitro-2-pyridinyl)oxy]phenyl]methanamine (CID 106486385) is N-methyl-1-[3-[(3-methyl-5-nitro-2-pyridinyl)oxy]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[(3-methyl-5-nitro-2-pyridinyl)oxy]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-[(3-methyl-5-nitro-2-pyridinyl)oxy]phenyl]methanamine is CNCc1cccc(Oc2ncc([N+](=O)[O-])cc2C)c1.
What is the InChIKey of N-methyl-1-[3-[(3-methyl-5-nitro-2-pyridinyl)oxy]phenyl]methanamine?
The InChIKey is GENJLKNNFGDERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-10-6-12(17(18)19)9-16-14(10)20-13-5-3-4-11(7-13)8-15-2/h3-7,9,15H,8H2,1-2H3.
What are the key properties of N-methyl-1-[3-[(3-methyl-5-nitro-2-pyridinyl)oxy]phenyl]methanamine?
N-methyl-1-[3-[(3-methyl-5-nitro-2-pyridinyl)oxy]phenyl]methanamine has a molecular weight of 273.29 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[(3-methyl-5-nitro-2-pyridinyl)oxy]phenyl]methanamine is sourced from PubChem (CID 106486385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).