1-(3-aminoazetidin-1-yl)-2-methyl-2-phenylpropan-1-one

C13H18N2O — CID 63753817

IUPAC1-(3-aminoazetidin-1-yl)-2-methyl-2-phenylpropan-1-one
SMILESCC(C)(C(=O)N1CC(N)C1)c1ccccc1
InChIInChI=1S/C13H18N2O/c1-13(2,10-6-4-3-5-7-10)12(16)15-8-11(14)9-15/h3-7,11H,8-9,14H2,1-2H3
InChIKeyUHSRWCLFCFTIJF-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.13
Rot. Bonds2

About 1-(3-aminoazetidin-1-yl)-2-methyl-2-phenylpropan-1-one

1-(3-aminoazetidin-1-yl)-2-methyl-2-phenylpropan-1-one (PubChem CID 63753817) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(3-aminoazetidin-1-yl)-2-methyl-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-(3-aminoazetidin-1-yl)-2-methyl-2-phenylpropan-1-one
PubChem CID63753817
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(3-aminoazetidin-1-yl)-2-methyl-2-phenylpropan-1-one
SMILESCC(C)(C(=O)N1CC(N)C1)c1ccccc1
InChIInChI=1S/C13H18N2O/c1-13(2,10-6-4-3-5-7-10)12(16)15-8-11(14)9-15/h3-7,11H,8-9,14H2,1-2H3
InChIKeyUHSRWCLFCFTIJF-UHFFFAOYSA-N
XLogP1.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-methyl-2-phenylpropan-1-one;hydrochloride
CID 120659330
1-(4-amino-3-methylpiperidin-1-yl)-2-methyl-2-phenylpropan-1-one;hydrochloride
CID 119592342
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-methyl-2-phenylpropan-1-one
CID 61234784
(3R,4R)-4-cyclopropyl-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid
CID 120979366
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 120746779
2-(4-aminophenyl)-1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-methylpropan-1-one
CID 107220792
1-[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 166612520
1-[2-(4-aminophenyl)-2-methylpropanoyl]azetidine-3-carboxylic acid
CID 80556175
2-methyl-1-(3-methylpiperazin-1-yl)-2-phenylpropan-1-one;hydrochloride
CID 119577501
1-(3-ethyl-4-hydroxypiperidin-1-yl)-2-methyl-2-phenylpropan-1-one
CID 114509918
1-[4-(1-aminoethyl)piperidin-1-yl]-2-methyl-2-phenylpropan-1-one;hydrochloride
CID 119517891
1-(3-aminopiperidin-1-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]propan-1-one
CID 119379948

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminoazetidin-1-yl)-2-methyl-2-phenylpropan-1-one?
The IUPAC name of 1-(3-aminoazetidin-1-yl)-2-methyl-2-phenylpropan-1-one (CID 63753817) is 1-(3-aminoazetidin-1-yl)-2-methyl-2-phenylpropan-1-one.
What is the SMILES notation for 1-(3-aminoazetidin-1-yl)-2-methyl-2-phenylpropan-1-one?
The canonical SMILES for 1-(3-aminoazetidin-1-yl)-2-methyl-2-phenylpropan-1-one is CC(C)(C(=O)N1CC(N)C1)c1ccccc1.
What is the InChIKey of 1-(3-aminoazetidin-1-yl)-2-methyl-2-phenylpropan-1-one?
The InChIKey is UHSRWCLFCFTIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-13(2,10-6-4-3-5-7-10)12(16)15-8-11(14)9-15/h3-7,11H,8-9,14H2,1-2H3.
What are the key properties of 1-(3-aminoazetidin-1-yl)-2-methyl-2-phenylpropan-1-one?
1-(3-aminoazetidin-1-yl)-2-methyl-2-phenylpropan-1-one has a molecular weight of 218.30 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminoazetidin-1-yl)-2-methyl-2-phenylpropan-1-one is sourced from PubChem (CID 63753817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).