2-amino-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-one

C15H20N2O2 — CID 66372006

IUPAC2-amino-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-one
SMILESCC(N)(C(=O)N1CC2CCC(C1)O2)c1ccccc1
InChIInChI=1S/C15H20N2O2/c1-15(16,11-5-3-2-4-6-11)14(18)17-9-12-7-8-13(10-17)19-12/h2-6,12-13H,7-10,16H2,1H3
InChIKeyBFSZJSWPGYBZFW-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.25
Rot. Bonds2

About 2-amino-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-one

2-amino-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-one (PubChem CID 66372006) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-amino-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-one
PubChem CID66372006
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-amino-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-one
SMILESCC(N)(C(=O)N1CC2CCC(C1)O2)c1ccccc1
InChIInChI=1S/C15H20N2O2/c1-15(16,11-5-3-2-4-6-11)14(18)17-9-12-7-8-13(10-17)19-12/h2-6,12-13H,7-10,16H2,1H3
InChIKeyBFSZJSWPGYBZFW-UHFFFAOYSA-N
XLogP1.25
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2-amino-2-phenylpropan-1-one
CID 120592446
1-(2-amino-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63031396
2-amino-1-(2-ethyl-6-methylmorpholin-4-yl)-2-phenylpropan-1-one;hydrochloride
CID 120590349
2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 120588873
2-amino-1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 122080376
2-amino-1-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-one
CID 120595139
2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 62488931
2-amino-1-(3-methoxypiperidin-1-yl)-2-phenylpropan-1-one
CID 102957634
2-amino-2-phenyl-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one;hydrochloride
CID 120590196
2-amino-1-[3-(1-aminoethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 122080668
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 106586749
2-amino-2-phenyl-1-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one
CID 120593719

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-one?
The IUPAC name of 2-amino-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-one (CID 66372006) is 2-amino-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-one.
What is the SMILES notation for 2-amino-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-one?
The canonical SMILES for 2-amino-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-one is CC(N)(C(=O)N1CC2CCC(C1)O2)c1ccccc1.
What is the InChIKey of 2-amino-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-one?
The InChIKey is BFSZJSWPGYBZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(16,11-5-3-2-4-6-11)14(18)17-9-12-7-8-13(10-17)19-12/h2-6,12-13H,7-10,16H2,1H3.
What are the key properties of 2-amino-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-one?
2-amino-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-one has a molecular weight of 260.34 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-one is sourced from PubChem (CID 66372006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).