N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)ethanamine

C13H20N2O2 — CID 75504160

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)ethanamine
SMILESCOc1ccc(CNC(C)C2CCCO2)cn1
InChIInChI=1S/C13H20N2O2/c1-10(12-4-3-7-17-12)14-8-11-5-6-13(16-2)15-9-11/h5-6,9-10,12,14H,3-4,7-8H2,1-2H3
InChIKeyXXELWBUAQCNPNZ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.75
Rot. Bonds5

About N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)ethanamine

N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)ethanamine (PubChem CID 75504160) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)ethanamine
PubChem CID75504160
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)ethanamine
SMILESCOc1ccc(CNC(C)C2CCCO2)cn1
InChIInChI=1S/C13H20N2O2/c1-10(12-4-3-7-17-12)14-8-11-5-6-13(16-2)15-9-11/h5-6,9-10,12,14H,3-4,7-8H2,1-2H3
InChIKeyXXELWBUAQCNPNZ-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)ethanamine with MolForge

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Related Compounds

1-(oxan-2-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]ethanamine
CID 126822315
N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208412
N-[(4-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208422
N-[(3,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208415
N-[[6-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62291428
N-[(4-tert-butylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43111659
1-(2-bicyclo[2.2.1]heptanyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 115685934
N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(oxolan-2-yl)ethanamine
CID 119106728
N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 106816198
(1R,6R,7R)-N-[(6-methoxy-3-pyridinyl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 124724919
N-[(4-fluoro-3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 55039910
N-[(3-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 60873140

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)ethanamine (CID 75504160) is N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)ethanamine is COc1ccc(CNC(C)C2CCCO2)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)ethanamine?
The InChIKey is XXELWBUAQCNPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(12-4-3-7-17-12)14-8-11-5-6-13(16-2)15-9-11/h5-6,9-10,12,14H,3-4,7-8H2,1-2H3.
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)ethanamine?
N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)ethanamine has a molecular weight of 236.31 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 75504160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).