1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-(methylamino)ethanone

C14H21NO2 — CID 117108291

IUPAC1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccccc1C(C)(C)COC
InChIInChI=1S/C14H21NO2/c1-14(2,10-17-4)12-8-6-5-7-11(12)13(16)9-15-3/h5-8,15H,9-10H2,1-4H3
InChIKeyYPCFNIFRBWVGHB-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.01
Rot. Bonds6

About 1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-(methylamino)ethanone

1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-(methylamino)ethanone (PubChem CID 117108291) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-(methylamino)ethanone
PubChem CID117108291
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccccc1C(C)(C)COC
InChIInChI=1S/C14H21NO2/c1-14(2,10-17-4)12-8-6-5-7-11(12)13(16)9-15-3/h5-8,15H,9-10H2,1-4H3
InChIKeyYPCFNIFRBWVGHB-UHFFFAOYSA-N
XLogP2.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-(methylamino)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-methoxyethoxy)phenyl]-2-(methylamino)ethanone
CID 116553800
1-(2-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride
CID 140991954
1-[2-[1-(methoxymethyl)cyclopropyl]phenyl]-2-(methylamino)ethanone
CID 117108293
1-[2-(dimethoxymethyl)phenyl]-2-(methylamino)ethanone
CID 84788996
1-[2-(2-fluoro-2-methylpropyl)phenyl]-2-(methylamino)ethanone
CID 117320150
2-(2-methoxyethylamino)-1-[2-(trifluoromethyl)phenyl]ethanone
CID 116591610
2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]propanoic acid
CID 115113081
3-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2,2-dimethylpropanoic acid
CID 117107937
1-[2-(fluoromethyl)phenyl]-2-(methylamino)ethanone
CID 84657859
1-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-3-phenylpropane-1,3-dione
CID 163212628
1-[2-methoxy-6-(trifluoromethyl)phenyl]-2-(methylamino)ethanone
CID 117369605
1-(2-methoxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)ethanone
CID 82102169

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-(methylamino)ethanone?
The IUPAC name of 1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-(methylamino)ethanone (CID 117108291) is 1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-(methylamino)ethanone is CNCC(=O)c1ccccc1C(C)(C)COC.
What is the InChIKey of 1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-(methylamino)ethanone?
The InChIKey is YPCFNIFRBWVGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(2,10-17-4)12-8-6-5-7-11(12)13(16)9-15-3/h5-8,15H,9-10H2,1-4H3.
What are the key properties of 1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-(methylamino)ethanone?
1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-(methylamino)ethanone has a molecular weight of 235.33 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-(methylamino)ethanone is sourced from PubChem (CID 117108291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).