1-(5-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine

C12H20N2O2 — CID 105175275

IUPAC1-(5-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCOc1cncc(C(N)COC(C)(C)C)c1
InChIInChI=1S/C12H20N2O2/c1-12(2,3)16-8-11(13)9-5-10(15-4)7-14-6-9/h5-7,11H,8,13H2,1-4H3
InChIKeyWVWGSQOLNXPJER-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.91
Rot. Bonds4

About 1-(5-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine

1-(5-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine (PubChem CID 105175275) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(5-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine.

Molecular Properties

Compound Name1-(5-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
PubChem CID105175275
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-(5-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCOc1cncc(C(N)COC(C)(C)C)c1
InChIInChI=1S/C12H20N2O2/c1-12(2,3)16-8-11(13)9-5-10(15-4)7-14-6-9/h5-7,11H,8,13H2,1-4H3
InChIKeyWVWGSQOLNXPJER-UHFFFAOYSA-N
XLogP1.91
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 105175348
1-(5-methoxy-3-pyridinyl)-2,2-dimethylbutan-1-amine
CID 105026104
2-ethoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-amine
CID 116758508
2-(2,5-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)ethanamine
CID 105026220
3-(dimethoxymethyl)-5-methoxypyridine
CID 45361740
(3-fluoro-4-methoxyphenyl)-(5-methoxy-3-pyridinyl)methanamine
CID 105026161
(4-bromo-3,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine
CID 114330272
(3,4-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine
CID 105025843
(2,5-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine
CID 105025888
(5-methoxy-3-pyridinyl)-(5-methylthiophen-2-yl)methanamine
CID 105026193
[(5-methoxy-3-pyridinyl)-(5-methyl-3-pyridinyl)methyl]hydrazine
CID 105329816
N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine
CID 105176094

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The IUPAC name of 1-(5-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine (CID 105175275) is 1-(5-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine.
What is the SMILES notation for 1-(5-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The canonical SMILES for 1-(5-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine is COc1cncc(C(N)COC(C)(C)C)c1.
What is the InChIKey of 1-(5-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The InChIKey is WVWGSQOLNXPJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-12(2,3)16-8-11(13)9-5-10(15-4)7-14-6-9/h5-7,11H,8,13H2,1-4H3.
What are the key properties of 1-(5-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine?
1-(5-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine has a molecular weight of 224.30 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine is sourced from PubChem (CID 105175275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).