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

C15H17N3O4 — CID 119124814

IUPAC1-(4-methoxy-3-nitrophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine
SMILESCOc1ccc(CNCc2ccc(OC)c([N+](=O)[O-])c2)cn1
InChIInChI=1S/C15H17N3O4/c1-21-14-5-3-11(7-13(14)18(19)20)8-16-9-12-4-6-15(22-2)17-10-12/h3-7,10,16H,8-9H2,1-2H3
InChIKeyZLLAAAAPPGJPHM-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.30
Rot. Bonds7

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

1-(4-methoxy-3-nitrophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine (PubChem CID 119124814) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 1-(4-methoxy-3-nitrophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-methoxy-3-nitrophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine
PubChem CID119124814
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name1-(4-methoxy-3-nitrophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine
SMILESCOc1ccc(CNCc2ccc(OC)c([N+](=O)[O-])c2)cn1
InChIInChI=1S/C15H17N3O4/c1-21-14-5-3-11(7-13(14)18(19)20)8-16-9-12-4-6-15(22-2)17-10-12/h3-7,10,16H,8-9H2,1-2H3
InChIKeyZLLAAAAPPGJPHM-UHFFFAOYSA-N
XLogP2.30
TPSA86.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.30
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

1-(6-methoxy-3-pyridinyl)-N-[(2-nitrophenyl)methyl]methanamine
CID 28712735
N-[(4-methoxy-3-nitrophenyl)methyl]propan-1-amine
CID 29045280
2-[(4-methoxy-3-nitrophenyl)methyl]-1,1-dimethylhydrazine
CID 83013842
N-[(4-methoxy-3-nitrophenyl)methyl]-3-phenoxypropan-1-amine
CID 119126588
N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-4-nitroaniline
CID 47279209
5-fluoro-N-[(4-methoxy-3-nitrophenyl)methyl]pyridin-2-amine
CID 75498230
N-[(4-methoxy-3-nitrophenyl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine
CID 119124848
5-methoxy-4-(2-methoxyethoxy)-N-[(6-methoxy-3-pyridinyl)methyl]-2-nitrobenzamide
CID 24613247
5-ethoxy-4-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-2-nitrobenzamide
CID 16962072
3-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]pentan-3-amine
CID 65039851
N-[(3-nitro-4-propoxyphenyl)methyl]ethanamine
CID 43277766
N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-4-methoxy-3-nitrobenzamide
CID 55800772

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-nitrophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(4-methoxy-3-nitrophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine (CID 119124814) is 1-(4-methoxy-3-nitrophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(4-methoxy-3-nitrophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(4-methoxy-3-nitrophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine is COc1ccc(CNCc2ccc(OC)c([N+](=O)[O-])c2)cn1.
What is the InChIKey of 1-(4-methoxy-3-nitrophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine?
The InChIKey is ZLLAAAAPPGJPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-21-14-5-3-11(7-13(14)18(19)20)8-16-9-12-4-6-15(22-2)17-10-12/h3-7,10,16H,8-9H2,1-2H3.
What are the key properties of 1-(4-methoxy-3-nitrophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine?
1-(4-methoxy-3-nitrophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine has a molecular weight of 303.32 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-nitrophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine is sourced from PubChem (CID 119124814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).