[2-[(5-methyl-3-pyridinyl)methoxy]-5-nitrophenyl]methanamine

C14H15N3O3 — CID 102880371

IUPAC[2-[(5-methyl-3-pyridinyl)methoxy]-5-nitrophenyl]methanamine
SMILESCc1cncc(COc2ccc([N+](=O)[O-])cc2CN)c1
InChIInChI=1S/C14H15N3O3/c1-10-4-11(8-16-7-10)9-20-14-3-2-13(17(18)19)5-12(14)6-15/h2-5,7-8H,6,9,15H2,1H3
InChIKeyZFVOZXGBDVGHAL-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.34
Rot. Bonds5

About [2-[(5-methyl-3-pyridinyl)methoxy]-5-nitrophenyl]methanamine

[2-[(5-methyl-3-pyridinyl)methoxy]-5-nitrophenyl]methanamine (PubChem CID 102880371) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is [2-[(5-methyl-3-pyridinyl)methoxy]-5-nitrophenyl]methanamine.

Molecular Properties

Compound Name[2-[(5-methyl-3-pyridinyl)methoxy]-5-nitrophenyl]methanamine
PubChem CID102880371
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name[2-[(5-methyl-3-pyridinyl)methoxy]-5-nitrophenyl]methanamine
SMILESCc1cncc(COc2ccc([N+](=O)[O-])cc2CN)c1
InChIInChI=1S/C14H15N3O3/c1-10-4-11(8-16-7-10)9-20-14-3-2-13(17(18)19)5-12(14)6-15/h2-5,7-8H,6,9,15H2,1H3
InChIKeyZFVOZXGBDVGHAL-UHFFFAOYSA-N
XLogP2.34
TPSA91.28 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 ≤ 52.34
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

2-[(5-methyl-3-pyridinyl)methoxy]-5-nitrobenzaldehyde
CID 102881298
(2-ethoxy-5-nitrophenyl)methanamine
CID 43472563
3-bromo-5-[[2-(bromomethyl)-4-nitrophenoxy]methyl]pyridine
CID 104799091
[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-nitrophenyl]methanamine
CID 60888826
[2-[(3,5-dimethylphenyl)methoxy]-5-nitrophenyl]methanol
CID 61029024
[4-[(5-methyl-3-pyridinyl)methoxy]-3-nitrophenyl]methanol
CID 102881576
[5-fluoro-2-[(4-nitrophenyl)methoxy]phenyl]methanamine
CID 107694802
[2-[(4-methylphenyl)methoxy]-5-nitrophenyl]methanol
CID 43472911
N-methyl-1-[5-nitro-2-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 43472667
[2-[(2,6-dichlorophenyl)methoxy]-5-nitrophenyl]methanamine
CID 60889382
(5-nitro-2-prop-2-enoxyphenyl)methanamine
CID 60889967
[2-[(5-chloro-2-fluorophenyl)methoxy]-5-nitrophenyl]methanamine
CID 103046384

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-3-pyridinyl)methoxy]-5-nitrophenyl]methanamine?
The IUPAC name of [2-[(5-methyl-3-pyridinyl)methoxy]-5-nitrophenyl]methanamine (CID 102880371) is [2-[(5-methyl-3-pyridinyl)methoxy]-5-nitrophenyl]methanamine.
What is the SMILES notation for [2-[(5-methyl-3-pyridinyl)methoxy]-5-nitrophenyl]methanamine?
The canonical SMILES for [2-[(5-methyl-3-pyridinyl)methoxy]-5-nitrophenyl]methanamine is Cc1cncc(COc2ccc([N+](=O)[O-])cc2CN)c1.
What is the InChIKey of [2-[(5-methyl-3-pyridinyl)methoxy]-5-nitrophenyl]methanamine?
The InChIKey is ZFVOZXGBDVGHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-10-4-11(8-16-7-10)9-20-14-3-2-13(17(18)19)5-12(14)6-15/h2-5,7-8H,6,9,15H2,1H3.
What are the key properties of [2-[(5-methyl-3-pyridinyl)methoxy]-5-nitrophenyl]methanamine?
[2-[(5-methyl-3-pyridinyl)methoxy]-5-nitrophenyl]methanamine has a molecular weight of 273.29 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-3-pyridinyl)methoxy]-5-nitrophenyl]methanamine is sourced from PubChem (CID 102880371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).