1-(2-methoxy-3,5-dimethylphenyl)-2-methyl-2-(methylamino)propan-1-one

C14H21NO2 — CID 116918725

IUPAC1-(2-methoxy-3,5-dimethylphenyl)-2-methyl-2-(methylamino)propan-1-one
SMILESCNC(C)(C)C(=O)c1cc(C)cc(C)c1OC
InChIInChI=1S/C14H21NO2/c1-9-7-10(2)12(17-6)11(8-9)13(16)14(3,4)15-5/h7-8,15H,1-6H3
InChIKeyVDPFHZUVOBAIJD-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.49
Rot. Bonds4

About 1-(2-methoxy-3,5-dimethylphenyl)-2-methyl-2-(methylamino)propan-1-one

1-(2-methoxy-3,5-dimethylphenyl)-2-methyl-2-(methylamino)propan-1-one (PubChem CID 116918725) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(2-methoxy-3,5-dimethylphenyl)-2-methyl-2-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(2-methoxy-3,5-dimethylphenyl)-2-methyl-2-(methylamino)propan-1-one
PubChem CID116918725
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(2-methoxy-3,5-dimethylphenyl)-2-methyl-2-(methylamino)propan-1-one
SMILESCNC(C)(C)C(=O)c1cc(C)cc(C)c1OC
InChIInChI=1S/C14H21NO2/c1-9-7-10(2)12(17-6)11(8-9)13(16)14(3,4)15-5/h7-8,15H,1-6H3
InChIKeyVDPFHZUVOBAIJD-UHFFFAOYSA-N
XLogP2.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-2-methyl-2-(methylamino)propan-1-one
CID 116566560
2-bromo-2-chloro-1-(2-methoxy-3,5-dimethylphenyl)ethanone
CID 116863877
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methyl-2-(methylamino)propan-1-one
CID 116918708
1-(2-methoxy-3,5-dimethylphenyl)-3-methyl-2-(methylaminomethyl)butan-1-one
CID 116923528
2-(2-methoxy-3,5-dimethylphenyl)-2-methylpropanoic acid
CID 82286933
methyl 3-amino-3-(2-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanoate
CID 116940300
N-(3-hydroxypropyl)-2-methoxy-3,5-dimethylbenzamide
CID 96661449
[1-(aminomethyl)cyclopropyl]-(2-methoxy-3,5-dimethylphenyl)methanone
CID 116921250
methyl 5-(2-methoxy-3,5-dimethylphenyl)-4-(methylamino)-5-oxopentanoate
CID 82349209
4-amino-1-(2-methoxy-3,5-dimethylphenyl)butan-1-one
CID 82341665
ethane;2-methoxy-1,3,5-trimethylbenzene
CID 142174927
2-methoxy-5-methylbenzene-1,3-dicarboxylic acid
CID 59710724

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3,5-dimethylphenyl)-2-methyl-2-(methylamino)propan-1-one?
The IUPAC name of 1-(2-methoxy-3,5-dimethylphenyl)-2-methyl-2-(methylamino)propan-1-one (CID 116918725) is 1-(2-methoxy-3,5-dimethylphenyl)-2-methyl-2-(methylamino)propan-1-one.
What is the SMILES notation for 1-(2-methoxy-3,5-dimethylphenyl)-2-methyl-2-(methylamino)propan-1-one?
The canonical SMILES for 1-(2-methoxy-3,5-dimethylphenyl)-2-methyl-2-(methylamino)propan-1-one is CNC(C)(C)C(=O)c1cc(C)cc(C)c1OC.
What is the InChIKey of 1-(2-methoxy-3,5-dimethylphenyl)-2-methyl-2-(methylamino)propan-1-one?
The InChIKey is VDPFHZUVOBAIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9-7-10(2)12(17-6)11(8-9)13(16)14(3,4)15-5/h7-8,15H,1-6H3.
What are the key properties of 1-(2-methoxy-3,5-dimethylphenyl)-2-methyl-2-(methylamino)propan-1-one?
1-(2-methoxy-3,5-dimethylphenyl)-2-methyl-2-(methylamino)propan-1-one has a molecular weight of 235.33 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3,5-dimethylphenyl)-2-methyl-2-(methylamino)propan-1-one is sourced from PubChem (CID 116918725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).