2-amino-1-(2,4-dimethoxy-3-methylphenyl)-2-methylpropan-1-one

C13H19NO3 — CID 116915377

IUPAC2-amino-1-(2,4-dimethoxy-3-methylphenyl)-2-methylpropan-1-one
SMILESCOc1ccc(C(=O)C(C)(C)N)c(OC)c1C
InChIInChI=1S/C13H19NO3/c1-8-10(16-4)7-6-9(11(8)17-5)12(15)13(2,3)14/h6-7H,14H2,1-5H3
InChIKeyYAZOZOAMQLKFLE-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.93
Rot. Bonds4

About 2-amino-1-(2,4-dimethoxy-3-methylphenyl)-2-methylpropan-1-one

2-amino-1-(2,4-dimethoxy-3-methylphenyl)-2-methylpropan-1-one (PubChem CID 116915377) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-amino-1-(2,4-dimethoxy-3-methylphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(2,4-dimethoxy-3-methylphenyl)-2-methylpropan-1-one
PubChem CID116915377
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-amino-1-(2,4-dimethoxy-3-methylphenyl)-2-methylpropan-1-one
SMILESCOc1ccc(C(=O)C(C)(C)N)c(OC)c1C
InChIInChI=1S/C13H19NO3/c1-8-10(16-4)7-6-9(11(8)17-5)12(15)13(2,3)14/h6-7H,14H2,1-5H3
InChIKeyYAZOZOAMQLKFLE-UHFFFAOYSA-N
XLogP1.93
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethoxy-3-methylphenyl)-3,3-dimethylbutan-1-one
CID 95461337
3-amino-1-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-one
CID 116915741
2-bromo-1-(2,4-dimethoxy-3-methylphenyl)propan-1-one
CID 14199715
2-(aminomethyl)-1-(2,4-dimethoxy-3-methylphenyl)butan-1-one
CID 116923190
2-amino-1-(3-bromo-2,4-dimethoxyphenyl)-2-methylbutan-1-one
CID 103524317
2-amino-1-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropan-1-one
CID 116915369
cyclopentyl-(2,4-dimethoxy-3-methylphenyl)methanone
CID 82296372
N-(4-acetamidophenyl)-2,4-dimethoxy-3-methylbenzamide
CID 110763407
(2,4-dimethoxy-3-methylphenyl) acetate
CID 10899866
2-amino-1-(4-methoxy-2,3-dimethylphenyl)ethanone
CID 82281637
2,4-dimethoxy-3-methyl-N-(2-methylpropyl)benzamide
CID 110763321
2,4-dimethoxy-N,3-dimethylbenzenecarbothioamide
CID 116827700

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,4-dimethoxy-3-methylphenyl)-2-methylpropan-1-one?
The IUPAC name of 2-amino-1-(2,4-dimethoxy-3-methylphenyl)-2-methylpropan-1-one (CID 116915377) is 2-amino-1-(2,4-dimethoxy-3-methylphenyl)-2-methylpropan-1-one.
What is the SMILES notation for 2-amino-1-(2,4-dimethoxy-3-methylphenyl)-2-methylpropan-1-one?
The canonical SMILES for 2-amino-1-(2,4-dimethoxy-3-methylphenyl)-2-methylpropan-1-one is COc1ccc(C(=O)C(C)(C)N)c(OC)c1C.
What is the InChIKey of 2-amino-1-(2,4-dimethoxy-3-methylphenyl)-2-methylpropan-1-one?
The InChIKey is YAZOZOAMQLKFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-8-10(16-4)7-6-9(11(8)17-5)12(15)13(2,3)14/h6-7H,14H2,1-5H3.
What are the key properties of 2-amino-1-(2,4-dimethoxy-3-methylphenyl)-2-methylpropan-1-one?
2-amino-1-(2,4-dimethoxy-3-methylphenyl)-2-methylpropan-1-one has a molecular weight of 237.30 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,4-dimethoxy-3-methylphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 116915377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).