3-amino-1-(3,4-dimethoxyphenyl)propan-1-one

C11H15NO3 — CID 93183338

IUPAC3-amino-1-(3,4-dimethoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)CCN)cc1OC
InChIInChI=1S/C11H15NO3/c1-14-10-4-3-8(7-11(10)15-2)9(13)5-6-12/h3-4,7H,5-6,12H2,1-2H3
InChIKeyKDVNWXBMNJXXCY-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.24
Rot. Bonds5

About 3-amino-1-(3,4-dimethoxyphenyl)propan-1-one

3-amino-1-(3,4-dimethoxyphenyl)propan-1-one (PubChem CID 93183338) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 3-amino-1-(3,4-dimethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(3,4-dimethoxyphenyl)propan-1-one
PubChem CID93183338
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name3-amino-1-(3,4-dimethoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)CCN)cc1OC
InChIInChI=1S/C11H15NO3/c1-14-10-4-3-8(7-11(10)15-2)9(13)5-6-12/h3-4,7H,5-6,12H2,1-2H3
InChIKeyKDVNWXBMNJXXCY-UHFFFAOYSA-N
XLogP1.24
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(4-fluoro-3-methoxyphenyl)propan-1-one
CID 82606899
3-amino-1-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]propan-1-one
CID 117415452
1-(3,4-dimethoxyphenyl)-3-ethylsulfanylpropan-1-one
CID 15365888
[2-(3,4-dimethoxyphenyl)-2-oxoethyl]azanium chloride
CID 16740542
3-amino-1-(6-methoxynaphthalen-2-yl)propan-1-one
CID 116915440
5-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one
CID 116571948
3-(diethylamino)-1-(3,4-dimethoxyphenyl)propan-1-one;hydrochloride
CID 2925638
6-amino-1-(3-fluoro-4-methoxyphenyl)hexan-1-one
CID 116549979
3-(2,4-difluorophenyl)-1-(3,4-dimethoxyphenyl)propan-1-one
CID 53417201
3-amino-1-(3-methoxy-4,5-dimethylphenyl)propan-1-one
CID 117295954
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-fluorobenzoate
CID 2511319

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,4-dimethoxyphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(3,4-dimethoxyphenyl)propan-1-one (CID 93183338) is 3-amino-1-(3,4-dimethoxyphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(3,4-dimethoxyphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(3,4-dimethoxyphenyl)propan-1-one is COc1ccc(C(=O)CCN)cc1OC.
What is the InChIKey of 3-amino-1-(3,4-dimethoxyphenyl)propan-1-one?
The InChIKey is KDVNWXBMNJXXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-14-10-4-3-8(7-11(10)15-2)9(13)5-6-12/h3-4,7H,5-6,12H2,1-2H3.
What are the key properties of 3-amino-1-(3,4-dimethoxyphenyl)propan-1-one?
3-amino-1-(3,4-dimethoxyphenyl)propan-1-one has a molecular weight of 209.24 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,4-dimethoxyphenyl)propan-1-one is sourced from PubChem (CID 93183338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).