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

C14H15N3O3 — CID 28712735

IUPAC1-(6-methoxy-3-pyridinyl)-N-[(2-nitrophenyl)methyl]methanamine
SMILESCOc1ccc(CNCc2ccccc2[N+](=O)[O-])cn1
InChIInChI=1S/C14H15N3O3/c1-20-14-7-6-11(9-16-14)8-15-10-12-4-2-3-5-13(12)17(18)19/h2-7,9,15H,8,10H2,1H3
InChIKeyJBAMBAYDEVQYLB-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.29
Rot. Bonds6

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

1-(6-methoxy-3-pyridinyl)-N-[(2-nitrophenyl)methyl]methanamine (PubChem CID 28712735) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-(6-methoxy-3-pyridinyl)-N-[(2-nitrophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(6-methoxy-3-pyridinyl)-N-[(2-nitrophenyl)methyl]methanamine
PubChem CID28712735
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name1-(6-methoxy-3-pyridinyl)-N-[(2-nitrophenyl)methyl]methanamine
SMILESCOc1ccc(CNCc2ccccc2[N+](=O)[O-])cn1
InChIInChI=1S/C14H15N3O3/c1-20-14-7-6-11(9-16-14)8-15-10-12-4-2-3-5-13(12)17(18)19/h2-7,9,15H,8,10H2,1H3
InChIKeyJBAMBAYDEVQYLB-UHFFFAOYSA-N
XLogP2.29
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.29
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

N-[(2-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 62390689
1-(4-methoxy-3-nitrophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine
CID 119124814
1-(4-methoxy-3-methylphenyl)-N-[(2-nitrophenyl)methyl]methanamine
CID 60777643
1-(3-methoxyphenyl)-N-[(2-nitrophenyl)methyl]methanamine
CID 60663527
N-[(3,5-dimethoxyphenyl)methyl]-1-(2-nitrophenyl)methanamine;oxalic acid
CID 17367692
N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-4-nitroaniline
CID 47279209
1-(2-methylphenyl)-N-[(2-nitrophenyl)methyl]methanamine
CID 60664546
6-methoxy-N-[(2-nitrophenyl)methyl]pyridin-2-amine
CID 63591480
5-methoxy-N-[(2-nitrophenyl)methyl]pyridin-2-amine
CID 103802148
N-[(2-fluoro-3-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 107348841
N-[(2-fluorophenyl)methyl]-1-(2-nitrophenyl)methanamine
CID 28582574
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-nitrophenyl)methanamine
CID 79579430

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-pyridinyl)-N-[(2-nitrophenyl)methyl]methanamine?
The IUPAC name of 1-(6-methoxy-3-pyridinyl)-N-[(2-nitrophenyl)methyl]methanamine (CID 28712735) is 1-(6-methoxy-3-pyridinyl)-N-[(2-nitrophenyl)methyl]methanamine.
What is the SMILES notation for 1-(6-methoxy-3-pyridinyl)-N-[(2-nitrophenyl)methyl]methanamine?
The canonical SMILES for 1-(6-methoxy-3-pyridinyl)-N-[(2-nitrophenyl)methyl]methanamine is COc1ccc(CNCc2ccccc2[N+](=O)[O-])cn1.
What is the InChIKey of 1-(6-methoxy-3-pyridinyl)-N-[(2-nitrophenyl)methyl]methanamine?
The InChIKey is JBAMBAYDEVQYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-20-14-7-6-11(9-16-14)8-15-10-12-4-2-3-5-13(12)17(18)19/h2-7,9,15H,8,10H2,1H3.
What are the key properties of 1-(6-methoxy-3-pyridinyl)-N-[(2-nitrophenyl)methyl]methanamine?
1-(6-methoxy-3-pyridinyl)-N-[(2-nitrophenyl)methyl]methanamine has a molecular weight of 273.29 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-pyridinyl)-N-[(2-nitrophenyl)methyl]methanamine is sourced from PubChem (CID 28712735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).