1-[2-[2-(dimethylamino)ethoxy]-6-hydroxyphenyl]propan-1-one

C13H19NO3 — CID 71450597

IUPAC1-[2-[2-(dimethylamino)ethoxy]-6-hydroxyphenyl]propan-1-one
SMILESCCC(=O)c1c(O)cccc1OCCN(C)C
InChIInChI=1S/C13H19NO3/c1-4-10(15)13-11(16)6-5-7-12(13)17-9-8-14(2)3/h5-7,16H,4,8-9H2,1-3H3
InChIKeyRZTIOTVTQVFOEY-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.93
Rot. Bonds6

About 1-[2-[2-(dimethylamino)ethoxy]-6-hydroxyphenyl]propan-1-one

1-[2-[2-(dimethylamino)ethoxy]-6-hydroxyphenyl]propan-1-one (PubChem CID 71450597) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[2-[2-(dimethylamino)ethoxy]-6-hydroxyphenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-[2-(dimethylamino)ethoxy]-6-hydroxyphenyl]propan-1-one
PubChem CID71450597
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name1-[2-[2-(dimethylamino)ethoxy]-6-hydroxyphenyl]propan-1-one
SMILESCCC(=O)c1c(O)cccc1OCCN(C)C
InChIInChI=1S/C13H19NO3/c1-4-10(15)13-11(16)6-5-7-12(13)17-9-8-14(2)3/h5-7,16H,4,8-9H2,1-3H3
InChIKeyRZTIOTVTQVFOEY-UHFFFAOYSA-N
XLogP1.93
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[2-(dimethylamino)ethoxy]-6-hydroxyphenyl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-(trifluoromethyl)-2-pyridinyl] 2-[2-(dimethylamino)ethoxy]-6-ethoxybenzoate
CID 164745360
bis[7-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]methanone
CID 13455063
2-(dimethylamino)ethyl 2-hydroxy-3-propanoylbenzoate
CID 13478528
2-[2-(dimethylamino)ethoxy]-N-methylbenzamide
CID 69175199
N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-methylbenzamide
CID 129303779
ethyl 3-[2-(dimethylamino)ethoxy]-4-hydroxybenzoate;hydrochloride
CID 23160711
1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-one;hydrobromide
CID 117068814
4-[2-[2-(dimethylamino)ethoxy]phenyl]-3-ethylphenol
CID 138383034
ethane;1-(2-fluoro-6-hydroxyphenyl)propan-1-one
CID 161428232
1-[2-hydroxy-6-(3-methylpentoxy)phenyl]ethanone
CID 163755781
3-[2-[2-(dimethylamino)ethoxy]phenyl]propanoyl chloride
CID 39260422
2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-(6-ethyl-5-fluoro-3-pyridinyl)benzamide
CID 176689227

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(dimethylamino)ethoxy]-6-hydroxyphenyl]propan-1-one?
The IUPAC name of 1-[2-[2-(dimethylamino)ethoxy]-6-hydroxyphenyl]propan-1-one (CID 71450597) is 1-[2-[2-(dimethylamino)ethoxy]-6-hydroxyphenyl]propan-1-one.
What is the SMILES notation for 1-[2-[2-(dimethylamino)ethoxy]-6-hydroxyphenyl]propan-1-one?
The canonical SMILES for 1-[2-[2-(dimethylamino)ethoxy]-6-hydroxyphenyl]propan-1-one is CCC(=O)c1c(O)cccc1OCCN(C)C.
What is the InChIKey of 1-[2-[2-(dimethylamino)ethoxy]-6-hydroxyphenyl]propan-1-one?
The InChIKey is RZTIOTVTQVFOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-10(15)13-11(16)6-5-7-12(13)17-9-8-14(2)3/h5-7,16H,4,8-9H2,1-3H3.
What are the key properties of 1-[2-[2-(dimethylamino)ethoxy]-6-hydroxyphenyl]propan-1-one?
1-[2-[2-(dimethylamino)ethoxy]-6-hydroxyphenyl]propan-1-one has a molecular weight of 237.30 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(dimethylamino)ethoxy]-6-hydroxyphenyl]propan-1-one is sourced from PubChem (CID 71450597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).