N-methyl-1-[6-methyl-3-[(4-nitrophenyl)methoxy]-2-pyridinyl]methanamine

C15H17N3O3 — CID 79157121

IUPACN-methyl-1-[6-methyl-3-[(4-nitrophenyl)methoxy]-2-pyridinyl]methanamine
SMILESCNCc1nc(C)ccc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H17N3O3/c1-11-3-8-15(14(17-11)9-16-2)21-10-12-4-6-13(7-5-12)18(19)20/h3-8,16H,9-10H2,1-2H3
InChIKeyRGGZIVNNVHCBRN-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.60
Rot. Bonds6

About N-methyl-1-[6-methyl-3-[(4-nitrophenyl)methoxy]-2-pyridinyl]methanamine

N-methyl-1-[6-methyl-3-[(4-nitrophenyl)methoxy]-2-pyridinyl]methanamine (PubChem CID 79157121) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-methyl-1-[6-methyl-3-[(4-nitrophenyl)methoxy]-2-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-methyl-3-[(4-nitrophenyl)methoxy]-2-pyridinyl]methanamine
PubChem CID79157121
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-methyl-1-[6-methyl-3-[(4-nitrophenyl)methoxy]-2-pyridinyl]methanamine
SMILESCNCc1nc(C)ccc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H17N3O3/c1-11-3-8-15(14(17-11)9-16-2)21-10-12-4-6-13(7-5-12)18(19)20/h3-8,16H,9-10H2,1-2H3
InChIKeyRGGZIVNNVHCBRN-UHFFFAOYSA-N
XLogP2.60
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.60
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-[(4-methoxyphenyl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine
CID 79150973
1-[3-[(3,4-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine
CID 82918461
N-methyl-1-[6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methanamine
CID 79150580
1-[3-[(3-bromo-5-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine
CID 79710901
[3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine
CID 115980216
2-(chloromethyl)-6-methyl-3-[(3-nitrophenyl)methoxy]pyridine
CID 79169537
6-methyl-3-[(4-methylphenyl)methoxy]-2-nitropyridine
CID 2800220
1-[2-[(4-chlorophenyl)methoxy]-5-nitrophenyl]-N-methylmethanamine
CID 60888633
N-[[3-[(4-bromophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine
CID 79151204
1-[6-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-3-pyridinyl]-N-methylmethanamine
CID 103175609
[3-[(2-bromo-4-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanol
CID 79158522
1-[3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine
CID 79151277

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-methyl-3-[(4-nitrophenyl)methoxy]-2-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[6-methyl-3-[(4-nitrophenyl)methoxy]-2-pyridinyl]methanamine (CID 79157121) is N-methyl-1-[6-methyl-3-[(4-nitrophenyl)methoxy]-2-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[6-methyl-3-[(4-nitrophenyl)methoxy]-2-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[6-methyl-3-[(4-nitrophenyl)methoxy]-2-pyridinyl]methanamine is CNCc1nc(C)ccc1OCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-methyl-1-[6-methyl-3-[(4-nitrophenyl)methoxy]-2-pyridinyl]methanamine?
The InChIKey is RGGZIVNNVHCBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-11-3-8-15(14(17-11)9-16-2)21-10-12-4-6-13(7-5-12)18(19)20/h3-8,16H,9-10H2,1-2H3.
What are the key properties of N-methyl-1-[6-methyl-3-[(4-nitrophenyl)methoxy]-2-pyridinyl]methanamine?
N-methyl-1-[6-methyl-3-[(4-nitrophenyl)methoxy]-2-pyridinyl]methanamine has a molecular weight of 287.32 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-methyl-3-[(4-nitrophenyl)methoxy]-2-pyridinyl]methanamine is sourced from PubChem (CID 79157121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).