(2R)-2-[[[(1S)-1-phenylethyl]amino]methyl]-2H-furan-5-one

C13H15NO2 — CID 135026714

IUPAC(2R)-2-[[[(1S)-1-phenylethyl]amino]methyl]-2H-furan-5-one
SMILESC[C@H](NC[C@H]1C=CC(=O)O1)c1ccccc1
InChIInChI=1S/C13H15NO2/c1-10(11-5-3-2-4-6-11)14-9-12-7-8-13(15)16-12/h2-8,10,12,14H,9H2,1H3/t10-,12+/m0/s1
InChIKeyFHLJTJPEOSFWOR-CMPLNLGQSA-N
MW217.27 g/mol
LogP1.82
Rot. Bonds4

About (2R)-2-[[[(1S)-1-phenylethyl]amino]methyl]-2H-furan-5-one

(2R)-2-[[[(1S)-1-phenylethyl]amino]methyl]-2H-furan-5-one (PubChem CID 135026714) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is (2R)-2-[[[(1S)-1-phenylethyl]amino]methyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[[[(1S)-1-phenylethyl]amino]methyl]-2H-furan-5-one
PubChem CID135026714
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name(2R)-2-[[[(1S)-1-phenylethyl]amino]methyl]-2H-furan-5-one
SMILESC[C@H](NC[C@H]1C=CC(=O)O1)c1ccccc1
InChIInChI=1S/C13H15NO2/c1-10(11-5-3-2-4-6-11)14-9-12-7-8-13(15)16-12/h2-8,10,12,14H,9H2,1H3/t10-,12+/m0/s1
InChIKeyFHLJTJPEOSFWOR-CMPLNLGQSA-N
XLogP1.82
TPSA38.33 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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[[(1S)-1-phenylethyl]amino]methyl]-2H-furan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-N-[[5-[(1-phenylethylamino)methyl]thiophen-2-yl]methyl]ethanamine
CID 78022429
2-(phenoxymethyl)-2H-furan-5-one
CID 11275514
(1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-phenylethanamine
CID 79036025
2-[(1-phenylethylamino)methyl]phenol
CID 3669487
(1R)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenylethanamine
CID 155091223
N-[(5-methylthiophen-2-yl)methyl]-1-phenylethanamine
CID 4715520
N-[(2-methylcyclopentyl)methyl]-1-phenylethanamine
CID 107417351
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
N,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine
CID 12964090
(2R,3S)-2-[(1R,2R)-2-fluoro-1-hydroxy-2-phenylethyl]-3-hydroxy-2,3-dihydropyran-6-one
CID 72705497
2-[[(1S)-1-phenylethyl]amino]acetaldehyde
CID 173253392
(1R)-N-(2-adamantylmethyl)-1-phenylethanamine
CID 134991731

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[[(1S)-1-phenylethyl]amino]methyl]-2H-furan-5-one?
The IUPAC name of (2R)-2-[[[(1S)-1-phenylethyl]amino]methyl]-2H-furan-5-one (CID 135026714) is (2R)-2-[[[(1S)-1-phenylethyl]amino]methyl]-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[[[(1S)-1-phenylethyl]amino]methyl]-2H-furan-5-one?
The canonical SMILES for (2R)-2-[[[(1S)-1-phenylethyl]amino]methyl]-2H-furan-5-one is C[C@H](NC[C@H]1C=CC(=O)O1)c1ccccc1.
What is the InChIKey of (2R)-2-[[[(1S)-1-phenylethyl]amino]methyl]-2H-furan-5-one?
The InChIKey is FHLJTJPEOSFWOR-CMPLNLGQSA-N. The full InChI is InChI=1S/C13H15NO2/c1-10(11-5-3-2-4-6-11)14-9-12-7-8-13(15)16-12/h2-8,10,12,14H,9H2,1H3/t10-,12+/m0/s1.
What are the key properties of (2R)-2-[[[(1S)-1-phenylethyl]amino]methyl]-2H-furan-5-one?
(2R)-2-[[[(1S)-1-phenylethyl]amino]methyl]-2H-furan-5-one has a molecular weight of 217.27 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[[(1S)-1-phenylethyl]amino]methyl]-2H-furan-5-one is sourced from PubChem (CID 135026714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).