3-(dimethylamino)-1-(2-ethoxyphenyl)propan-1-one

C13H19NO2 — CID 115345793

IUPAC3-(dimethylamino)-1-(2-ethoxyphenyl)propan-1-one
SMILESCCOc1ccccc1C(=O)CCN(C)C
InChIInChI=1S/C13H19NO2/c1-4-16-13-8-6-5-7-11(13)12(15)9-10-14(2)3/h5-8H,4,9-10H2,1-3H3
InChIKeyJZAZVQRQMVQXFO-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.22
Rot. Bonds6

About 3-(dimethylamino)-1-(2-ethoxyphenyl)propan-1-one

3-(dimethylamino)-1-(2-ethoxyphenyl)propan-1-one (PubChem CID 115345793) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(2-ethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-(2-ethoxyphenyl)propan-1-one
PubChem CID115345793
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-(dimethylamino)-1-(2-ethoxyphenyl)propan-1-one
SMILESCCOc1ccccc1C(=O)CCN(C)C
InChIInChI=1S/C13H19NO2/c1-4-16-13-8-6-5-7-11(13)12(15)9-10-14(2)3/h5-8H,4,9-10H2,1-3H3
InChIKeyJZAZVQRQMVQXFO-UHFFFAOYSA-N
XLogP2.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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

ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
1-(2-ethoxyphenyl)-2-[methyl(pentyl)amino]ethanone
CID 43796047
3-(2-ethoxyphenyl)-3-oxopropanoic acid
CID 170886850
2-(dibutylamino)-1-(2-ethoxyphenyl)ethanone
CID 43794795
1-(2-ethoxyphenyl)pentane-1,3-dione
CID 28896176
3-(2-ethoxyphenyl)-3-oxopropanamide
CID 76851157
1-(2-ethoxyphenyl)-2-[methyl(3-methylbutan-2-yl)amino]ethanone
CID 43796755
1-(2-ethoxyphenyl)-2-methylsulfonylethanone
CID 62784939
2-ethoxybenzenecarboperoxoic acid
CID 22314606
2-ethoxybenzoyl bromide
CID 19426336
2-ethoxybenzoic acid;zinc
CID 172723273
2-[[2-(2-ethoxyphenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 62051399

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(2-ethoxyphenyl)propan-1-one?
The IUPAC name of 3-(dimethylamino)-1-(2-ethoxyphenyl)propan-1-one (CID 115345793) is 3-(dimethylamino)-1-(2-ethoxyphenyl)propan-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-(2-ethoxyphenyl)propan-1-one?
The canonical SMILES for 3-(dimethylamino)-1-(2-ethoxyphenyl)propan-1-one is CCOc1ccccc1C(=O)CCN(C)C.
What is the InChIKey of 3-(dimethylamino)-1-(2-ethoxyphenyl)propan-1-one?
The InChIKey is JZAZVQRQMVQXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-16-13-8-6-5-7-11(13)12(15)9-10-14(2)3/h5-8H,4,9-10H2,1-3H3.
What are the key properties of 3-(dimethylamino)-1-(2-ethoxyphenyl)propan-1-one?
3-(dimethylamino)-1-(2-ethoxyphenyl)propan-1-one has a molecular weight of 221.30 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(2-ethoxyphenyl)propan-1-one is sourced from PubChem (CID 115345793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).