N-[(2-methoxy-3-pyridinyl)methyl]-1-(oxolan-3-yl)ethanamine

C13H20N2O2 — CID 113260159

IUPACN-[(2-methoxy-3-pyridinyl)methyl]-1-(oxolan-3-yl)ethanamine
SMILESCOc1ncccc1CNC(C)C1CCOC1
InChIInChI=1S/C13H20N2O2/c1-10(12-5-7-17-9-12)15-8-11-4-3-6-14-13(11)16-2/h3-4,6,10,12,15H,5,7-9H2,1-2H3
InChIKeyINBJLYOKPQGNFK-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.60
Rot. Bonds5

About N-[(2-methoxy-3-pyridinyl)methyl]-1-(oxolan-3-yl)ethanamine

N-[(2-methoxy-3-pyridinyl)methyl]-1-(oxolan-3-yl)ethanamine (PubChem CID 113260159) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[(2-methoxy-3-pyridinyl)methyl]-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-methoxy-3-pyridinyl)methyl]-1-(oxolan-3-yl)ethanamine
PubChem CID113260159
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[(2-methoxy-3-pyridinyl)methyl]-1-(oxolan-3-yl)ethanamine
SMILESCOc1ncccc1CNC(C)C1CCOC1
InChIInChI=1S/C13H20N2O2/c1-10(12-5-7-17-9-12)15-8-11-4-3-6-14-13(11)16-2/h3-4,6,10,12,15H,5,7-9H2,1-2H3
InChIKeyINBJLYOKPQGNFK-UHFFFAOYSA-N
XLogP1.60
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-cyclohexyl-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 81384352
N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655289
1-(oxolan-3-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
CID 75483307
N-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655223
(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 93316993
N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 60860137
1-(oxolan-3-yl)-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine
CID 115890011
2-methyl-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol
CID 115907787
2-bromo-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol
CID 115655218
1-cyclopentyl-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylmethanamine
CID 60858994
3-[(2-methoxy-3-pyridinyl)methyl]oxan-4-ol
CID 106471082
4-chloro-2-methoxy-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol
CID 104646424

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-1-(oxolan-3-yl)ethanamine?
The IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-1-(oxolan-3-yl)ethanamine (CID 113260159) is N-[(2-methoxy-3-pyridinyl)methyl]-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-[(2-methoxy-3-pyridinyl)methyl]-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-[(2-methoxy-3-pyridinyl)methyl]-1-(oxolan-3-yl)ethanamine is COc1ncccc1CNC(C)C1CCOC1.
What is the InChIKey of N-[(2-methoxy-3-pyridinyl)methyl]-1-(oxolan-3-yl)ethanamine?
The InChIKey is INBJLYOKPQGNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(12-5-7-17-9-12)15-8-11-4-3-6-14-13(11)16-2/h3-4,6,10,12,15H,5,7-9H2,1-2H3.
What are the key properties of N-[(2-methoxy-3-pyridinyl)methyl]-1-(oxolan-3-yl)ethanamine?
N-[(2-methoxy-3-pyridinyl)methyl]-1-(oxolan-3-yl)ethanamine has a molecular weight of 236.31 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3-pyridinyl)methyl]-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 113260159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).