1-(4-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one

C12H17NO2 — CID 19866956

IUPAC1-(4-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one
SMILESCNC(C)(C)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C12H17NO2/c1-12(2,13-3)11(14)9-5-7-10(15-4)8-6-9/h5-8,13H,1-4H3
InChIKeyJVEXDQVNSGIOAD-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.88
Rot. Bonds4

About 1-(4-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one

1-(4-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one (PubChem CID 19866956) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one
PubChem CID19866956
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-(4-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one
SMILESCNC(C)(C)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C12H17NO2/c1-12(2,13-3)11(14)9-5-7-10(15-4)8-6-9/h5-8,13H,1-4H3
InChIKeyJVEXDQVNSGIOAD-UHFFFAOYSA-N
XLogP1.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-methoxyphenyl)-2-methyl-2-(methylamino)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

1-(5-methoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one
CID 116566393
1-(4-methoxyphenyl)-2-(1-methoxypropan-2-ylamino)-2-methylpropan-1-one
CID 19866805
2,2-difluoro-1-(4-methoxyphenyl)ethanone
CID 11593558
2,2,2-triiodo-1-(4-methoxyphenyl)ethanone
CID 86080929
2-bromo-1,2-bis(4-methoxyphenyl)propan-1-one
CID 129261159
3-(4-methoxyphenyl)-2,2-dimethyl-3-oxopropanal
CID 121013341
(2S,3S)-2,3-dihydroxy-2,3-bis(4-methoxybenzoyl)butanedioic acid
CID 66875563
2-(2,2-diethoxyethylamino)-1-(4-methoxyphenyl)-2-methylpropan-1-one
CID 97356076
1-(4-methoxyphenyl)-2-methyl-2-trimethylsilyloxypropan-1-one
CID 101490737
4-methoxybenzoic acid;hydrobromide
CID 172731707
4-methoxybenzoic acid;silver
CID 140722019
(2S)-1-(4-methoxyphenyl)-2-(methylamino)propan-1-one
CID 51371469

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one?
The IUPAC name of 1-(4-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one (CID 19866956) is 1-(4-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one?
The canonical SMILES for 1-(4-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one is CNC(C)(C)C(=O)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one?
The InChIKey is JVEXDQVNSGIOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(2,13-3)11(14)9-5-7-10(15-4)8-6-9/h5-8,13H,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one?
1-(4-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one has a molecular weight of 207.27 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one is sourced from PubChem (CID 19866956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).