1-(4-methoxy-2-methylphenyl)-2-methyl-3-(methylamino)propan-1-one

C13H19NO2 — CID 116586918

IUPAC1-(4-methoxy-2-methylphenyl)-2-methyl-3-(methylamino)propan-1-one
SMILESCNCC(C)C(=O)c1ccc(OC)cc1C
InChIInChI=1S/C13H19NO2/c1-9-7-11(16-4)5-6-12(9)13(15)10(2)8-14-3/h5-7,10,14H,8H2,1-4H3
InChIKeyKRIWDBYITXGBGG-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.04
Rot. Bonds5

About 1-(4-methoxy-2-methylphenyl)-2-methyl-3-(methylamino)propan-1-one

1-(4-methoxy-2-methylphenyl)-2-methyl-3-(methylamino)propan-1-one (PubChem CID 116586918) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)-2-methyl-3-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)-2-methyl-3-(methylamino)propan-1-one
PubChem CID116586918
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(4-methoxy-2-methylphenyl)-2-methyl-3-(methylamino)propan-1-one
SMILESCNCC(C)C(=O)c1ccc(OC)cc1C
InChIInChI=1S/C13H19NO2/c1-9-7-11(16-4)5-6-12(9)13(15)10(2)8-14-3/h5-7,10,14H,8H2,1-4H3
InChIKeyKRIWDBYITXGBGG-UHFFFAOYSA-N
XLogP2.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-one
CID 65313346
4-(4-methoxy-2-methylphenyl)-3-(2-methylpropylamino)-4-oxobutanoic acid
CID 82349839
2-cyclopropyl-1-(4-methoxy-2-methylphenyl)propan-1-one
CID 114965532
2-amino-1-(4-methoxy-2-methylphenyl)-3-methylpentan-1-one
CID 116552805
2-(aminomethyl)-1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-one
CID 116573984
2-amino-1-(4-methoxy-2-methylphenyl)-4-methylpentan-1-one
CID 116553575
2-methyl-4-[1-(methylamino)propan-2-yloxy]benzamide
CID 81275945
1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-one
CID 65313814
1-(5-fluoro-2-methoxyphenyl)-2-methyl-3-(methylamino)propan-1-one
CID 116586971
2-(4-aminophenoxy)-1-(4-methoxy-2-methylphenyl)propan-1-one
CID 46307714
N-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanamide
CID 79195727
4-methoxy-2-[(4-methoxy-2-methylbenzoyl)amino]butanoic acid
CID 120703108

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)-2-methyl-3-(methylamino)propan-1-one?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)-2-methyl-3-(methylamino)propan-1-one (CID 116586918) is 1-(4-methoxy-2-methylphenyl)-2-methyl-3-(methylamino)propan-1-one.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)-2-methyl-3-(methylamino)propan-1-one?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)-2-methyl-3-(methylamino)propan-1-one is CNCC(C)C(=O)c1ccc(OC)cc1C.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)-2-methyl-3-(methylamino)propan-1-one?
The InChIKey is KRIWDBYITXGBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-7-11(16-4)5-6-12(9)13(15)10(2)8-14-3/h5-7,10,14H,8H2,1-4H3.
What are the key properties of 1-(4-methoxy-2-methylphenyl)-2-methyl-3-(methylamino)propan-1-one?
1-(4-methoxy-2-methylphenyl)-2-methyl-3-(methylamino)propan-1-one has a molecular weight of 221.30 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylphenyl)-2-methyl-3-(methylamino)propan-1-one is sourced from PubChem (CID 116586918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).