2-amino-1-(oxolan-3-yl)-2-phenylpropan-1-one

C13H17NO2 — CID 116563869

IUPAC2-amino-1-(oxolan-3-yl)-2-phenylpropan-1-one
SMILESCC(N)(C(=O)C1CCOC1)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-13(14,11-5-3-2-4-6-11)12(15)10-7-8-16-9-10/h2-6,10H,7-9,14H2,1H3
InChIKeyWRPLGRNMJCWIPJ-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.47
Rot. Bonds3

About 2-amino-1-(oxolan-3-yl)-2-phenylpropan-1-one

2-amino-1-(oxolan-3-yl)-2-phenylpropan-1-one (PubChem CID 116563869) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-amino-1-(oxolan-3-yl)-2-phenylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(oxolan-3-yl)-2-phenylpropan-1-one
PubChem CID116563869
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-amino-1-(oxolan-3-yl)-2-phenylpropan-1-one
SMILESCC(N)(C(=O)C1CCOC1)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-13(14,11-5-3-2-4-6-11)12(15)10-7-8-16-9-10/h2-6,10H,7-9,14H2,1H3
InChIKeyWRPLGRNMJCWIPJ-UHFFFAOYSA-N
XLogP1.47
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylpropan-1-one
CID 116564038
1-(oxolan-3-yl)-1-phenylethanamine
CID 63563026
[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95894763
2-amino-N-[1-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride
CID 120593233
2-amino-N-[2-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride
CID 120588866
2-amino-N-[4-(oxolan-3-yloxy)phenyl]-2-phenylpropanamide;hydrochloride
CID 120593039
2,2-dimethyl-1-(oxolan-3-yl)butan-1-one
CID 114972062
(2R)-2-amino-2-phenylpropanoyl chloride
CID 141365713
2-amino-N-(2-methyloxolan-3-yl)-2-phenylpropanamide
CID 82729111
N-(4-tert-butylphenyl)oxolane-3-carboxamide
CID 47443367
2-amino-2-methyl-1-(oxan-3-yl)butan-1-one
CID 107138432
2-amino-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-one
CID 66372006

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(oxolan-3-yl)-2-phenylpropan-1-one?
The IUPAC name of 2-amino-1-(oxolan-3-yl)-2-phenylpropan-1-one (CID 116563869) is 2-amino-1-(oxolan-3-yl)-2-phenylpropan-1-one.
What is the SMILES notation for 2-amino-1-(oxolan-3-yl)-2-phenylpropan-1-one?
The canonical SMILES for 2-amino-1-(oxolan-3-yl)-2-phenylpropan-1-one is CC(N)(C(=O)C1CCOC1)c1ccccc1.
What is the InChIKey of 2-amino-1-(oxolan-3-yl)-2-phenylpropan-1-one?
The InChIKey is WRPLGRNMJCWIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13(14,11-5-3-2-4-6-11)12(15)10-7-8-16-9-10/h2-6,10H,7-9,14H2,1H3.
What are the key properties of 2-amino-1-(oxolan-3-yl)-2-phenylpropan-1-one?
2-amino-1-(oxolan-3-yl)-2-phenylpropan-1-one has a molecular weight of 219.28 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(oxolan-3-yl)-2-phenylpropan-1-one is sourced from PubChem (CID 116563869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).