2-amino-1-(2,3-dihydrofuran-5-yl)-3-phenylpropan-1-one

C13H15NO2 — CID 102652408

IUPAC2-amino-1-(2,3-dihydrofuran-5-yl)-3-phenylpropan-1-one
SMILESNC(Cc1ccccc1)C(=O)C1=CCCO1
InChIInChI=1S/C13H15NO2/c14-11(9-10-5-2-1-3-6-10)13(15)12-7-4-8-16-12/h1-3,5-7,11H,4,8-9,14H2
InChIKeyKLTFVUPPWQEUEU-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.43
Rot. Bonds4

About 2-amino-1-(2,3-dihydrofuran-5-yl)-3-phenylpropan-1-one

2-amino-1-(2,3-dihydrofuran-5-yl)-3-phenylpropan-1-one (PubChem CID 102652408) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-amino-1-(2,3-dihydrofuran-5-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(2,3-dihydrofuran-5-yl)-3-phenylpropan-1-one
PubChem CID102652408
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-amino-1-(2,3-dihydrofuran-5-yl)-3-phenylpropan-1-one
SMILESNC(Cc1ccccc1)C(=O)C1=CCCO1
InChIInChI=1S/C13H15NO2/c14-11(9-10-5-2-1-3-6-10)13(15)12-7-4-8-16-12/h1-3,5-7,11H,4,8-9,14H2
InChIKeyKLTFVUPPWQEUEU-UHFFFAOYSA-N
XLogP1.43
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropan-1-one
CID 116552522
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112
(2S)-2-amino-3-phenylpropanoic acid;λ2-stannane
CID 175107963
(2S)-2-amino-3-phenylpropanoic acid;astatane
CID 174857071
(2S)-2-amino-3-phenylpropanoic acid;ethanol
CID 129063061
cyclobutyl (2R)-2-amino-3-phenylpropanoate
CID 104902268
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
sodium;(2R)-2-amino-3-phenylpropanoic acid;chloride
CID 174870632
CID 70476310
CID 70476310

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,3-dihydrofuran-5-yl)-3-phenylpropan-1-one?
The IUPAC name of 2-amino-1-(2,3-dihydrofuran-5-yl)-3-phenylpropan-1-one (CID 102652408) is 2-amino-1-(2,3-dihydrofuran-5-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 2-amino-1-(2,3-dihydrofuran-5-yl)-3-phenylpropan-1-one?
The canonical SMILES for 2-amino-1-(2,3-dihydrofuran-5-yl)-3-phenylpropan-1-one is NC(Cc1ccccc1)C(=O)C1=CCCO1.
What is the InChIKey of 2-amino-1-(2,3-dihydrofuran-5-yl)-3-phenylpropan-1-one?
The InChIKey is KLTFVUPPWQEUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c14-11(9-10-5-2-1-3-6-10)13(15)12-7-4-8-16-12/h1-3,5-7,11H,4,8-9,14H2.
What are the key properties of 2-amino-1-(2,3-dihydrofuran-5-yl)-3-phenylpropan-1-one?
2-amino-1-(2,3-dihydrofuran-5-yl)-3-phenylpropan-1-one has a molecular weight of 217.27 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,3-dihydrofuran-5-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 102652408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).