1-[2-methoxy-5-(oxolan-3-yl)phenyl]-2-(methylamino)ethanone

C14H19NO3 — CID 117376242

IUPAC1-[2-methoxy-5-(oxolan-3-yl)phenyl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(C2CCOC2)ccc1OC
InChIInChI=1S/C14H19NO3/c1-15-8-13(16)12-7-10(3-4-14(12)17-2)11-5-6-18-9-11/h3-4,7,11,15H,5-6,8-9H2,1-2H3
InChIKeySFWSCWHILHBECK-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.60
Rot. Bonds5

About 1-[2-methoxy-5-(oxolan-3-yl)phenyl]-2-(methylamino)ethanone

1-[2-methoxy-5-(oxolan-3-yl)phenyl]-2-(methylamino)ethanone (PubChem CID 117376242) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[2-methoxy-5-(oxolan-3-yl)phenyl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[2-methoxy-5-(oxolan-3-yl)phenyl]-2-(methylamino)ethanone
PubChem CID117376242
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-[2-methoxy-5-(oxolan-3-yl)phenyl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(C2CCOC2)ccc1OC
InChIInChI=1S/C14H19NO3/c1-15-8-13(16)12-7-10(3-4-14(12)17-2)11-5-6-18-9-11/h3-4,7,11,15H,5-6,8-9H2,1-2H3
InChIKeySFWSCWHILHBECK-UHFFFAOYSA-N
XLogP1.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanone
CID 82078374
2-[2-methoxy-5-(oxan-4-yl)phenyl]acetic acid
CID 117379181
1-[5-(difluoromethyl)-2-methoxyphenyl]-2-(methylamino)ethanone
CID 117330012
4-[2-methoxy-5-(oxolan-3-yl)phenyl]piperidine
CID 117408137
2-amino-1-[2-methoxy-5-(thian-4-yl)phenyl]ethanone
CID 117417969
1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]-2-(methylamino)ethanone
CID 115005075
2-(methylamino)-1-[2-(oxetan-3-yl)phenyl]ethanone
CID 115005818
3-amino-3-[2-methoxy-5-(oxan-4-yl)phenyl]propanoic acid
CID 117447910
2-methoxy-5-(oxolan-3-yl)pyridine-3-carboxylic acid
CID 115033808
2-[2-methoxy-5-(oxan-4-yl)phenyl]propanoic acid
CID 117415323
1-(5-chloro-2-methoxyphenyl)-2-(oxan-4-yl)ethanone
CID 114969178
2-methoxy-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]benzoic acid
CID 125153443

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-5-(oxolan-3-yl)phenyl]-2-(methylamino)ethanone?
The IUPAC name of 1-[2-methoxy-5-(oxolan-3-yl)phenyl]-2-(methylamino)ethanone (CID 117376242) is 1-[2-methoxy-5-(oxolan-3-yl)phenyl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[2-methoxy-5-(oxolan-3-yl)phenyl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[2-methoxy-5-(oxolan-3-yl)phenyl]-2-(methylamino)ethanone is CNCC(=O)c1cc(C2CCOC2)ccc1OC.
What is the InChIKey of 1-[2-methoxy-5-(oxolan-3-yl)phenyl]-2-(methylamino)ethanone?
The InChIKey is SFWSCWHILHBECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-15-8-13(16)12-7-10(3-4-14(12)17-2)11-5-6-18-9-11/h3-4,7,11,15H,5-6,8-9H2,1-2H3.
What are the key properties of 1-[2-methoxy-5-(oxolan-3-yl)phenyl]-2-(methylamino)ethanone?
1-[2-methoxy-5-(oxolan-3-yl)phenyl]-2-(methylamino)ethanone has a molecular weight of 249.31 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 1-[2-methoxy-5-(oxolan-3-yl)phenyl]-2-(methylamino)ethanone is sourced from PubChem (CID 117376242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).