N-methyl-1-[6-(2-methyl-5-nitrophenoxy)-3-pyridinyl]methanamine

C14H15N3O3 — CID 80633522

IUPACN-methyl-1-[6-(2-methyl-5-nitrophenoxy)-3-pyridinyl]methanamine
SMILESCNCc1ccc(Oc2cc([N+](=O)[O-])ccc2C)nc1
InChIInChI=1S/C14H15N3O3/c1-10-3-5-12(17(18)19)7-13(10)20-14-6-4-11(8-15-2)9-16-14/h3-7,9,15H,8H2,1-2H3
InChIKeyMISBHCQDAKHMIV-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.81
Rot. Bonds5

About N-methyl-1-[6-(2-methyl-5-nitrophenoxy)-3-pyridinyl]methanamine

N-methyl-1-[6-(2-methyl-5-nitrophenoxy)-3-pyridinyl]methanamine (PubChem CID 80633522) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-methyl-1-[6-(2-methyl-5-nitrophenoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-(2-methyl-5-nitrophenoxy)-3-pyridinyl]methanamine
PubChem CID80633522
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-methyl-1-[6-(2-methyl-5-nitrophenoxy)-3-pyridinyl]methanamine
SMILESCNCc1ccc(Oc2cc([N+](=O)[O-])ccc2C)nc1
InChIInChI=1S/C14H15N3O3/c1-10-3-5-12(17(18)19)7-13(10)20-14-6-4-11(8-15-2)9-16-14/h3-7,9,15H,8H2,1-2H3
InChIKeyMISBHCQDAKHMIV-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-[6-(2-chloro-5-nitrophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 80633241
N-methyl-1-[6-(3-nitrophenoxy)-3-pyridinyl]methanamine
CID 80633675
5-chloro-2-(2-methyl-5-nitrophenoxy)pyridine
CID 66233897
5-bromo-2-(2-methyl-5-nitrophenoxy)pyridine
CID 61373997
1-[6-(2,6-dichloro-4-nitrophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 80637993
1-[6-(5-fluoro-2-nitrophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 80633902
N-methyl-1-[4-methyl-3-(4-nitrophenoxy)phenyl]methanamine
CID 105407116
1-[6-(2,4-dimethylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 55058595
1-[6-(4-tert-butyl-2-methylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62323119
[6-(2-bromo-5-nitrophenoxy)-3-pyridinyl]methanamine
CID 103011231
1-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62295879
3-chloro-6-(2-methyl-5-nitrophenoxy)pyridazine
CID 54915676

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-(2-methyl-5-nitrophenoxy)-3-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[6-(2-methyl-5-nitrophenoxy)-3-pyridinyl]methanamine (CID 80633522) is N-methyl-1-[6-(2-methyl-5-nitrophenoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[6-(2-methyl-5-nitrophenoxy)-3-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[6-(2-methyl-5-nitrophenoxy)-3-pyridinyl]methanamine is CNCc1ccc(Oc2cc([N+](=O)[O-])ccc2C)nc1.
What is the InChIKey of N-methyl-1-[6-(2-methyl-5-nitrophenoxy)-3-pyridinyl]methanamine?
The InChIKey is MISBHCQDAKHMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-10-3-5-12(17(18)19)7-13(10)20-14-6-4-11(8-15-2)9-16-14/h3-7,9,15H,8H2,1-2H3.
What are the key properties of N-methyl-1-[6-(2-methyl-5-nitrophenoxy)-3-pyridinyl]methanamine?
N-methyl-1-[6-(2-methyl-5-nitrophenoxy)-3-pyridinyl]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-[6-(2-methyl-5-nitrophenoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 80633522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).