2-methoxy-3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine

C11H22N2O2 — CID 106115046

IUPAC2-methoxy-3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
SMILESCOCC1=CCN(CC(CN)OC)CC1
InChIInChI=1S/C11H22N2O2/c1-14-9-10-3-5-13(6-4-10)8-11(7-12)15-2/h3,11H,4-9,12H2,1-2H3
InChIKeyLUMJFPGYLSMBDW-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.24
Rot. Bonds6

About 2-methoxy-3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine

2-methoxy-3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine (PubChem CID 106115046) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-methoxy-3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine.

Molecular Properties

Compound Name2-methoxy-3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
PubChem CID106115046
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-methoxy-3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
SMILESCOCC1=CCN(CC(CN)OC)CC1
InChIInChI=1S/C11H22N2O2/c1-14-9-10-3-5-13(6-4-10)8-11(7-12)15-2/h3,11H,4-9,12H2,1-2H3
InChIKeyLUMJFPGYLSMBDW-UHFFFAOYSA-N
XLogP0.24
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(Propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 84716602
4-(methoxymethyl)-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine
CID 102657075
2-methoxy-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
CID 103152788
N-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-1-amine
CID 103227336
3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpropan-1-amine
CID 103227337
N-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-2-amine
CID 103227338
N-ethyl-3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 103227339
3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propan-2-ylpropan-1-amine
CID 103227340
3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylpropan-1-amine
CID 103227341
3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 103227342
2-methoxy-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine
CID 106115044
2-methoxy-3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine
CID 106315000

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine?
The IUPAC name of 2-methoxy-3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine (CID 106115046) is 2-methoxy-3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine.
What is the SMILES notation for 2-methoxy-3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine?
The canonical SMILES for 2-methoxy-3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine is COCC1=CCN(CC(CN)OC)CC1.
What is the InChIKey of 2-methoxy-3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine?
The InChIKey is LUMJFPGYLSMBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-14-9-10-3-5-13(6-4-10)8-11(7-12)15-2/h3,11H,4-9,12H2,1-2H3.
What are the key properties of 2-methoxy-3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine?
2-methoxy-3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine has a molecular weight of 214.31 g/mol, XLogP of 0.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine is sourced from PubChem (CID 106115046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).