3-amino-1-(2,5-dimethoxyphenyl)propan-1-one

C11H15NO3 — CID 10149089

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

About 3-amino-1-(2,5-dimethoxyphenyl)propan-1-one

3-amino-1-(2,5-dimethoxyphenyl)propan-1-one (PubChem CID 10149089) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 3-amino-1-(2,5-dimethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
PubChem CID10149089
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
SMILESCOc1ccc(OC)c(C(=O)CCN)c1
InChIInChI=1S/C11H15NO3/c1-14-8-3-4-11(15-2)9(7-8)10(13)5-6-12/h3-4,7H,5-6,12H2,1-2H3
InChIKeyIQXGRKZUQYZYKG-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-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350
1-(2,5-dimethoxyphenyl)pentane-1,4-dione
CID 43608296
5-chloro-1-(2,5-dimethoxyphenyl)pentan-1-one
CID 18931430
3-amino-1-(2-ethoxy-4-methoxyphenyl)propan-1-one
CID 117319761
3-(2,5-dimethoxyphenyl)-3-oxopropane-1-sulfonic acid
CID 94698323
1-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-one
CID 105098345
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] carbamate
CID 119090108
1-(2,5-dimethoxyphenyl)-5-methylhexan-1-one
CID 115795487
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2431484
1-(2,5-dimethoxyphenyl)-2-(dimethylamino)ethanone
CID 13302045
1-(2,5-dimethoxyphenyl)-2-(2,6-dimethylphenyl)ethanone
CID 115792599
6-(2,5-dimethoxyphenyl)-2-methyl-6-oxohexanoic acid
CID 70041189

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,5-dimethoxyphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(2,5-dimethoxyphenyl)propan-1-one (CID 10149089) is 3-amino-1-(2,5-dimethoxyphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(2,5-dimethoxyphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(2,5-dimethoxyphenyl)propan-1-one is COc1ccc(OC)c(C(=O)CCN)c1.
What is the InChIKey of 3-amino-1-(2,5-dimethoxyphenyl)propan-1-one?
The InChIKey is IQXGRKZUQYZYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-14-8-3-4-11(15-2)9(7-8)10(13)5-6-12/h3-4,7H,5-6,12H2,1-2H3.
What are the key properties of 3-amino-1-(2,5-dimethoxyphenyl)propan-1-one?
3-amino-1-(2,5-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-(2,5-dimethoxyphenyl)propan-1-one is sourced from PubChem (CID 10149089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).