1-(3-aminooxolan-3-yl)-2-(2-methoxy-5-methylphenyl)ethanone

C14H19NO3 — CID 116579688

IUPAC1-(3-aminooxolan-3-yl)-2-(2-methoxy-5-methylphenyl)ethanone
SMILESCOc1ccc(C)cc1CC(=O)C1(N)CCOC1
InChIInChI=1S/C14H19NO3/c1-10-3-4-12(17-2)11(7-10)8-13(16)14(15)5-6-18-9-14/h3-4,7H,5-6,8-9,15H2,1-2H3
InChIKeyYMYSTXSXOVSRIM-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.23
Rot. Bonds4

About 1-(3-aminooxolan-3-yl)-2-(2-methoxy-5-methylphenyl)ethanone

1-(3-aminooxolan-3-yl)-2-(2-methoxy-5-methylphenyl)ethanone (PubChem CID 116579688) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(3-aminooxolan-3-yl)-2-(2-methoxy-5-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-aminooxolan-3-yl)-2-(2-methoxy-5-methylphenyl)ethanone
PubChem CID116579688
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-(3-aminooxolan-3-yl)-2-(2-methoxy-5-methylphenyl)ethanone
SMILESCOc1ccc(C)cc1CC(=O)C1(N)CCOC1
InChIInChI=1S/C14H19NO3/c1-10-3-4-12(17-2)11(7-10)8-13(16)14(15)5-6-18-9-14/h3-4,7H,5-6,8-9,15H2,1-2H3
InChIKeyYMYSTXSXOVSRIM-UHFFFAOYSA-N
XLogP1.23
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(2-methoxy-5-methylphenyl)methyl]oxolan-3-yl]methanol
CID 66059005
4-amino-N-(2-methoxy-4-methylphenyl)oxane-4-carboxamide
CID 115294141
1-(1-aminocyclopropyl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 116576466
1-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 81172694
1-(1-ethoxycyclopentyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 116747950
1-(3-aminooxolan-3-yl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 114863389
4-(aminomethyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]oxane-4-carboxamide
CID 120919849
4-amino-N-[(2,5-dimethoxyphenyl)methyl]oxane-4-carboxamide
CID 115294665
(3aS,7aS)-2-[2-(2-methoxy-5-methylphenyl)acetyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120626701
1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 65391197
1-(2-methoxy-5-methylphenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one
CID 116575518
1-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine
CID 55042036

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminooxolan-3-yl)-2-(2-methoxy-5-methylphenyl)ethanone?
The IUPAC name of 1-(3-aminooxolan-3-yl)-2-(2-methoxy-5-methylphenyl)ethanone (CID 116579688) is 1-(3-aminooxolan-3-yl)-2-(2-methoxy-5-methylphenyl)ethanone.
What is the SMILES notation for 1-(3-aminooxolan-3-yl)-2-(2-methoxy-5-methylphenyl)ethanone?
The canonical SMILES for 1-(3-aminooxolan-3-yl)-2-(2-methoxy-5-methylphenyl)ethanone is COc1ccc(C)cc1CC(=O)C1(N)CCOC1.
What is the InChIKey of 1-(3-aminooxolan-3-yl)-2-(2-methoxy-5-methylphenyl)ethanone?
The InChIKey is YMYSTXSXOVSRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-3-4-12(17-2)11(7-10)8-13(16)14(15)5-6-18-9-14/h3-4,7H,5-6,8-9,15H2,1-2H3.
What are the key properties of 1-(3-aminooxolan-3-yl)-2-(2-methoxy-5-methylphenyl)ethanone?
1-(3-aminooxolan-3-yl)-2-(2-methoxy-5-methylphenyl)ethanone has a molecular weight of 249.31 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminooxolan-3-yl)-2-(2-methoxy-5-methylphenyl)ethanone is sourced from PubChem (CID 116579688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).