2-amino-1-(2,3-dimethylphenyl)-4-methoxybutan-1-one

C13H19NO2 — CID 116567259

IUPAC2-amino-1-(2,3-dimethylphenyl)-4-methoxybutan-1-one
SMILESCOCCC(N)C(=O)c1cccc(C)c1C
InChIInChI=1S/C13H19NO2/c1-9-5-4-6-11(10(9)2)13(15)12(14)7-8-16-3/h4-6,12H,7-8,14H2,1-3H3
InChIKeyNPXIGJHFYZEBPT-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.85
Rot. Bonds5

About 2-amino-1-(2,3-dimethylphenyl)-4-methoxybutan-1-one

2-amino-1-(2,3-dimethylphenyl)-4-methoxybutan-1-one (PubChem CID 116567259) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-amino-1-(2,3-dimethylphenyl)-4-methoxybutan-1-one.

Molecular Properties

Compound Name2-amino-1-(2,3-dimethylphenyl)-4-methoxybutan-1-one
PubChem CID116567259
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-amino-1-(2,3-dimethylphenyl)-4-methoxybutan-1-one
SMILESCOCCC(N)C(=O)c1cccc(C)c1C
InChIInChI=1S/C13H19NO2/c1-9-5-4-6-11(10(9)2)13(15)12(14)7-8-16-3/h4-6,12H,7-8,14H2,1-3H3
InChIKeyNPXIGJHFYZEBPT-UHFFFAOYSA-N
XLogP1.85
TPSA52.32 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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3,4-dimethylphenyl)-4-methoxybutan-1-one
CID 116567299
(2S)-2-amino-1-(2,3-dimethylphenyl)-3-methylbutan-1-one
CID 175812414
1-(2-fluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-one
CID 115807583
N-(1-amino-3-methoxypropan-2-yl)-2,3-dimethylbenzamide
CID 106180025
1-(2,3-dimethylphenyl)-3-(2-methoxyethoxy)propan-1-one
CID 102927472
2-amino-1-(3-fluorophenyl)-4-methoxybutan-1-one
CID 116567366
2-amino-N-ethyl-4-methoxy-N-(2-methylphenyl)butanamide
CID 62472432
2-(aminomethyl)-1-(2,3-dimethylphenyl)pentan-1-one
CID 116574492
2-amino-4-methoxy-1-thiophen-2-ylbutan-1-one
CID 116567437
2,3-dimethylbenzohydrazide
CID 16790549
1-(2,3-dimethylphenyl)-2-ethoxybutan-1-one
CID 116707669
N-(1-bromo-3-methoxypropan-2-yl)-2,3-dimethylbenzamide
CID 106183783

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,3-dimethylphenyl)-4-methoxybutan-1-one?
The IUPAC name of 2-amino-1-(2,3-dimethylphenyl)-4-methoxybutan-1-one (CID 116567259) is 2-amino-1-(2,3-dimethylphenyl)-4-methoxybutan-1-one.
What is the SMILES notation for 2-amino-1-(2,3-dimethylphenyl)-4-methoxybutan-1-one?
The canonical SMILES for 2-amino-1-(2,3-dimethylphenyl)-4-methoxybutan-1-one is COCCC(N)C(=O)c1cccc(C)c1C.
What is the InChIKey of 2-amino-1-(2,3-dimethylphenyl)-4-methoxybutan-1-one?
The InChIKey is NPXIGJHFYZEBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-5-4-6-11(10(9)2)13(15)12(14)7-8-16-3/h4-6,12H,7-8,14H2,1-3H3.
What are the key properties of 2-amino-1-(2,3-dimethylphenyl)-4-methoxybutan-1-one?
2-amino-1-(2,3-dimethylphenyl)-4-methoxybutan-1-one has a molecular weight of 221.30 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,3-dimethylphenyl)-4-methoxybutan-1-one is sourced from PubChem (CID 116567259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).