3-amino-1-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]propan-1-one

C14H20N2O3 — CID 117415452

IUPAC3-amino-1-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]propan-1-one
SMILESCOc1cc(C(=O)CCN)ccc1OC1CN(C)C1
InChIInChI=1S/C14H20N2O3/c1-16-8-11(9-16)19-13-4-3-10(7-14(13)18-2)12(17)5-6-15/h3-4,7,11H,5-6,8-9,15H2,1-2H3
InChIKeyAWEYTNMAQIBCSI-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.92
Rot. Bonds6

About 3-amino-1-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]propan-1-one

3-amino-1-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]propan-1-one (PubChem CID 117415452) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-amino-1-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]propan-1-one
PubChem CID117415452
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-amino-1-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]propan-1-one
SMILESCOc1cc(C(=O)CCN)ccc1OC1CN(C)C1
InChIInChI=1S/C14H20N2O3/c1-16-8-11(9-16)19-13-4-3-10(7-14(13)18-2)12(17)5-6-15/h3-4,7,11H,5-6,8-9,15H2,1-2H3
InChIKeyAWEYTNMAQIBCSI-UHFFFAOYSA-N
XLogP0.92
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-2-oxoacetate
CID 117473286
3-amino-1-(3,4-dimethoxyphenyl)propan-1-one
CID 93183338
3-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]butan-1-amine
CID 117415717
3-amino-1-(4-fluoro-3-methoxyphenyl)propan-1-one
CID 82606899
1-(3,4-dimethoxyphenyl)-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-1-one
CID 745591
2-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone
CID 117376031
3-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]propanoic acid
CID 117417024
3-amino-2-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]propanoic acid
CID 117450025
3-amino-1-(3-chloro-4-cyclopentyloxyphenyl)propan-1-one
CID 117423149
2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]-2-oxoacetic acid
CID 117473278
4-amino-1-(4-methoxy-3-propan-2-ylphenyl)butan-1-one
CID 82367309
1-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxy-3-methoxyphenyl]-5-morpholin-4-ylpentan-1-one
CID 58456873

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]propan-1-one?
The IUPAC name of 3-amino-1-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]propan-1-one (CID 117415452) is 3-amino-1-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]propan-1-one.
What is the SMILES notation for 3-amino-1-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]propan-1-one?
The canonical SMILES for 3-amino-1-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]propan-1-one is COc1cc(C(=O)CCN)ccc1OC1CN(C)C1.
What is the InChIKey of 3-amino-1-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]propan-1-one?
The InChIKey is AWEYTNMAQIBCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-16-8-11(9-16)19-13-4-3-10(7-14(13)18-2)12(17)5-6-15/h3-4,7,11H,5-6,8-9,15H2,1-2H3.
What are the key properties of 3-amino-1-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]propan-1-one?
3-amino-1-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]propan-1-one has a molecular weight of 264.32 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]propan-1-one is sourced from PubChem (CID 117415452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).