1-[2-[3-(dimethylamino)-2-methylpropoxy]phenyl]ethanone

C14H21NO2 — CID 82037382

IUPAC1-[2-[3-(dimethylamino)-2-methylpropoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCC(C)CN(C)C
InChIInChI=1S/C14H21NO2/c1-11(9-15(3)4)10-17-14-8-6-5-7-13(14)12(2)16/h5-8,11H,9-10H2,1-4H3
InChIKeyXGALCGZAMYTMQT-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.47
Rot. Bonds6

About 1-[2-[3-(dimethylamino)-2-methylpropoxy]phenyl]ethanone

1-[2-[3-(dimethylamino)-2-methylpropoxy]phenyl]ethanone (PubChem CID 82037382) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[2-[3-(dimethylamino)-2-methylpropoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[3-(dimethylamino)-2-methylpropoxy]phenyl]ethanone
PubChem CID82037382
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[2-[3-(dimethylamino)-2-methylpropoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCC(C)CN(C)C
InChIInChI=1S/C14H21NO2/c1-11(9-15(3)4)10-17-14-8-6-5-7-13(14)12(2)16/h5-8,11H,9-10H2,1-4H3
InChIKeyXGALCGZAMYTMQT-UHFFFAOYSA-N
XLogP2.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[3-(dimethylamino)-2-methylpropoxy]phenyl]ethanone 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

1-[2-(2-methylpentoxy)phenyl]ethanone
CID 62266405
1-[2-[(2R)-1-(dimethylamino)propan-2-yl]oxyphenyl]ethanone
CID 129322733
1-[2-(4-methylpentoxy)phenyl]ethanone
CID 29003187
(E)-but-2-enedioic acid;N,N,2-trimethyl-3-(2-phenylmethoxyphenoxy)propan-1-amine
CID 6447632
2-[(2R)-3-hydroxy-2-methylpropoxy]benzamide
CID 154452638
1-[2-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]phenyl]ethanone
CID 16807424
3-(2-acetylphenoxy)-N,N-dimethylpropanamide
CID 54879002
2-(2-methylbutoxy)benzoyl chloride
CID 139627306
N-[2-(2-acetylphenoxy)ethyl]-N-methylacetamide
CID 82037362
1-[6-acetyl-7-[3-(dimethylamino)-2-methylpropoxy]-1-benzofuran-4-yl]ethanone;hydrochloride
CID 3021607
1-[2-[2-[3-hydroxybutyl(methyl)amino]ethoxy]phenyl]ethanone
CID 115665999
3-(2-acetylphenoxy)butan-2-one
CID 82312052

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(dimethylamino)-2-methylpropoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[3-(dimethylamino)-2-methylpropoxy]phenyl]ethanone (CID 82037382) is 1-[2-[3-(dimethylamino)-2-methylpropoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[3-(dimethylamino)-2-methylpropoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[3-(dimethylamino)-2-methylpropoxy]phenyl]ethanone is CC(=O)c1ccccc1OCC(C)CN(C)C.
What is the InChIKey of 1-[2-[3-(dimethylamino)-2-methylpropoxy]phenyl]ethanone?
The InChIKey is XGALCGZAMYTMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(9-15(3)4)10-17-14-8-6-5-7-13(14)12(2)16/h5-8,11H,9-10H2,1-4H3.
What are the key properties of 1-[2-[3-(dimethylamino)-2-methylpropoxy]phenyl]ethanone?
1-[2-[3-(dimethylamino)-2-methylpropoxy]phenyl]ethanone has a molecular weight of 235.33 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(dimethylamino)-2-methylpropoxy]phenyl]ethanone is sourced from PubChem (CID 82037382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).