6-[(2-methoxy-5-nitrophenoxy)methyl]-N-methylpyridin-2-amine

C14H15N3O4 — CID 79234208

IUPAC6-[(2-methoxy-5-nitrophenoxy)methyl]-N-methylpyridin-2-amine
SMILESCNc1cccc(COc2cc([N+](=O)[O-])ccc2OC)n1
InChIInChI=1S/C14H15N3O4/c1-15-14-5-3-4-10(16-14)9-21-13-8-11(17(18)19)6-7-12(13)20-2/h3-8H,9H2,1-2H3,(H,15,16)
InChIKeyDWMFMDATJHLUPB-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.62
Rot. Bonds6

About 6-[(2-methoxy-5-nitrophenoxy)methyl]-N-methylpyridin-2-amine

6-[(2-methoxy-5-nitrophenoxy)methyl]-N-methylpyridin-2-amine (PubChem CID 79234208) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 6-[(2-methoxy-5-nitrophenoxy)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[(2-methoxy-5-nitrophenoxy)methyl]-N-methylpyridin-2-amine
PubChem CID79234208
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name6-[(2-methoxy-5-nitrophenoxy)methyl]-N-methylpyridin-2-amine
SMILESCNc1cccc(COc2cc([N+](=O)[O-])ccc2OC)n1
InChIInChI=1S/C14H15N3O4/c1-15-14-5-3-4-10(16-14)9-21-13-8-11(17(18)19)6-7-12(13)20-2/h3-8H,9H2,1-2H3,(H,15,16)
InChIKeyDWMFMDATJHLUPB-UHFFFAOYSA-N
XLogP2.62
TPSA86.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

6-[(2-chloro-4-nitrophenoxy)methyl]-N-ethylpyridin-2-amine
CID 79233930
2-[[2-(bromomethyl)-4-nitrophenoxy]methyl]-6-methoxypyridine
CID 63985703
4-[(2-methoxy-5-nitrophenoxy)methyl]-2-phenyl-1,3-thiazole
CID 8946764
[6-[(4-methoxy-2-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
CID 79233113
1,2-bis[(2-methoxyphenyl)methoxy]-4-nitrobenzene
CID 142794424
6-(2-methoxy-5-nitrophenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80878849
2,6-dichloro-3-[(2-methoxy-5-nitrophenoxy)methyl]pyridine
CID 106994414
2-[(2-methoxy-4-nitrophenoxy)methyl]-5-methylpyrazine
CID 162519884
6-[(2-methoxy-5-nitrophenoxy)methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 38897966
3-(2-methoxy-5-nitrophenoxy)propanal
CID 63038722
1-methoxy-4-nitro-2-phenylmethoxybenzene;4-methoxy-3-phenylmethoxyaniline
CID 159845208
2-(2-methoxy-5-nitrophenoxy)ethanamine
CID 18980081

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methoxy-5-nitrophenoxy)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 6-[(2-methoxy-5-nitrophenoxy)methyl]-N-methylpyridin-2-amine (CID 79234208) is 6-[(2-methoxy-5-nitrophenoxy)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 6-[(2-methoxy-5-nitrophenoxy)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 6-[(2-methoxy-5-nitrophenoxy)methyl]-N-methylpyridin-2-amine is CNc1cccc(COc2cc([N+](=O)[O-])ccc2OC)n1.
What is the InChIKey of 6-[(2-methoxy-5-nitrophenoxy)methyl]-N-methylpyridin-2-amine?
The InChIKey is DWMFMDATJHLUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-15-14-5-3-4-10(16-14)9-21-13-8-11(17(18)19)6-7-12(13)20-2/h3-8H,9H2,1-2H3,(H,15,16).
What are the key properties of 6-[(2-methoxy-5-nitrophenoxy)methyl]-N-methylpyridin-2-amine?
6-[(2-methoxy-5-nitrophenoxy)methyl]-N-methylpyridin-2-amine has a molecular weight of 289.29 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methoxy-5-nitrophenoxy)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 79234208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).