1-[2-[(2R)-1-(dimethylamino)propan-2-yl]oxyphenyl]ethanone

C13H19NO2 — CID 129322733

IUPAC1-[2-[(2R)-1-(dimethylamino)propan-2-yl]oxyphenyl]ethanone
SMILESCC(=O)c1ccccc1O[C@H](C)CN(C)C
InChIInChI=1S/C13H19NO2/c1-10(9-14(3)4)16-13-8-6-5-7-12(13)11(2)15/h5-8,10H,9H2,1-4H3/t10-/m1/s1
InChIKeyGZBRCBZQLYIPOY-SNVBAGLBSA-N
MW221.30 g/mol
LogP2.22
Rot. Bonds5

About 1-[2-[(2R)-1-(dimethylamino)propan-2-yl]oxyphenyl]ethanone

1-[2-[(2R)-1-(dimethylamino)propan-2-yl]oxyphenyl]ethanone (PubChem CID 129322733) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[2-[(2R)-1-(dimethylamino)propan-2-yl]oxyphenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(2R)-1-(dimethylamino)propan-2-yl]oxyphenyl]ethanone
PubChem CID129322733
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-[2-[(2R)-1-(dimethylamino)propan-2-yl]oxyphenyl]ethanone
SMILESCC(=O)c1ccccc1O[C@H](C)CN(C)C
InChIInChI=1S/C13H19NO2/c1-10(9-14(3)4)16-13-8-6-5-7-12(13)11(2)15/h5-8,10H,9H2,1-4H3/t10-/m1/s1
InChIKeyGZBRCBZQLYIPOY-SNVBAGLBSA-N
XLogP2.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[3-(dimethylamino)-2-methylpropoxy]phenyl]ethanone
CID 82037382
3-(2-acetylphenoxy)butan-2-one
CID 82312052
butan-2-yl 2-(2-acetylphenoxy)propanoate
CID 82312031
2-methylpropyl 2-(2-acetylphenoxy)propanoate
CID 82312033
1-[2-(4-methylpentoxy)phenyl]ethanone
CID 29003187
propyl 2-(2-acetylphenoxy)propanoate
CID 82312026
ethyl 2-(2-acetylphenoxy)-3-methylbutanoate
CID 15741885
1-[2-[fluoro(phenyl)methoxy]phenyl]ethanone
CID 57364040
1-[2-[2-[3-hydroxybutyl(methyl)amino]ethoxy]phenyl]ethanone
CID 115665999
benzyl 2-(2-acetylphenoxy)propanoate
CID 82312028
2-bromo-1-(2-propan-2-yloxyphenyl)ethanone;1-(2-hydroxyphenyl)ethanone;1-(2-propan-2-yloxyphenyl)ethanone
CID 157160076
N,N-dimethyl-2-phenoxypropan-1-amine
CID 15082323

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-1-(dimethylamino)propan-2-yl]oxyphenyl]ethanone?
The IUPAC name of 1-[2-[(2R)-1-(dimethylamino)propan-2-yl]oxyphenyl]ethanone (CID 129322733) is 1-[2-[(2R)-1-(dimethylamino)propan-2-yl]oxyphenyl]ethanone.
What is the SMILES notation for 1-[2-[(2R)-1-(dimethylamino)propan-2-yl]oxyphenyl]ethanone?
The canonical SMILES for 1-[2-[(2R)-1-(dimethylamino)propan-2-yl]oxyphenyl]ethanone is CC(=O)c1ccccc1O[C@H](C)CN(C)C.
What is the InChIKey of 1-[2-[(2R)-1-(dimethylamino)propan-2-yl]oxyphenyl]ethanone?
The InChIKey is GZBRCBZQLYIPOY-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(9-14(3)4)16-13-8-6-5-7-12(13)11(2)15/h5-8,10H,9H2,1-4H3/t10-/m1/s1.
What are the key properties of 1-[2-[(2R)-1-(dimethylamino)propan-2-yl]oxyphenyl]ethanone?
1-[2-[(2R)-1-(dimethylamino)propan-2-yl]oxyphenyl]ethanone has a molecular weight of 221.30 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-1-(dimethylamino)propan-2-yl]oxyphenyl]ethanone is sourced from PubChem (CID 129322733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).