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

C12H17NO3 — CID 117319773

IUPAC3-amino-1-(2,3-dimethoxy-4-methylphenyl)propan-1-one
SMILESCOc1c(C)ccc(C(=O)CCN)c1OC
InChIInChI=1S/C12H17NO3/c1-8-4-5-9(10(14)6-7-13)12(16-3)11(8)15-2/h4-5H,6-7,13H2,1-3H3
InChIKeyOOWCROAAYHPGGG-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.54
Rot. Bonds5

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

3-amino-1-(2,3-dimethoxy-4-methylphenyl)propan-1-one (PubChem CID 117319773) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-amino-1-(2,3-dimethoxy-4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(2,3-dimethoxy-4-methylphenyl)propan-1-one
PubChem CID117319773
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name3-amino-1-(2,3-dimethoxy-4-methylphenyl)propan-1-one
SMILESCOc1c(C)ccc(C(=O)CCN)c1OC
InChIInChI=1S/C12H17NO3/c1-8-4-5-9(10(14)6-7-13)12(16-3)11(8)15-2/h4-5H,6-7,13H2,1-3H3
InChIKeyOOWCROAAYHPGGG-UHFFFAOYSA-N
XLogP1.54
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(4-fluoro-2,3-dimethoxyphenyl)propan-1-one
CID 117326576
3-amino-1-(3-chloro-4-fluoro-2-methoxyphenyl)propan-1-one
CID 117335331
3-amino-1-(2-bromo-3,4-dimethoxyphenyl)propan-1-one
CID 117464809
6-amino-4-ethyl-1-(2-methoxy-3,4-dimethylphenyl)hexan-1-one
CID 103434856
3-amino-1-(4-chloro-2-methoxy-3,5-dimethylphenyl)propan-1-one
CID 117356323
methyl 4-(4-methylnaphthalen-1-yl)-4-oxobutanoate
CID 82646447
3-amino-1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-one
CID 117338427
3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350
1-(3-fluoro-2-methoxyphenyl)butan-1-one
CID 66969417
3-amino-1-(2-cyclopropyloxy-3-methoxyphenyl)propan-1-one
CID 117342156
1-(2-methoxy-3,4-dimethylphenyl)-4-phenylbutan-1-one
CID 103434986
1-(2-methoxy-3,4-dimethylphenyl)heptan-1-one
CID 103435068

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,3-dimethoxy-4-methylphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(2,3-dimethoxy-4-methylphenyl)propan-1-one (CID 117319773) is 3-amino-1-(2,3-dimethoxy-4-methylphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(2,3-dimethoxy-4-methylphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(2,3-dimethoxy-4-methylphenyl)propan-1-one is COc1c(C)ccc(C(=O)CCN)c1OC.
What is the InChIKey of 3-amino-1-(2,3-dimethoxy-4-methylphenyl)propan-1-one?
The InChIKey is OOWCROAAYHPGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8-4-5-9(10(14)6-7-13)12(16-3)11(8)15-2/h4-5H,6-7,13H2,1-3H3.
What are the key properties of 3-amino-1-(2,3-dimethoxy-4-methylphenyl)propan-1-one?
3-amino-1-(2,3-dimethoxy-4-methylphenyl)propan-1-one has a molecular weight of 223.27 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,3-dimethoxy-4-methylphenyl)propan-1-one is sourced from PubChem (CID 117319773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).