(2S)-1-(1-benzofuran-2-yl)-2-(ethylamino)propan-1-one

C13H15NO2 — CID 171632707

IUPAC(2S)-1-(1-benzofuran-2-yl)-2-(ethylamino)propan-1-one
SMILESCCN[C@@H](C)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C13H15NO2/c1-3-14-9(2)13(15)12-8-10-6-4-5-7-11(10)16-12/h4-9,14H,3H2,1-2H3/t9-/m0/s1
InChIKeyTULDCYZSZGUDOL-VIFPVBQESA-N
MW217.27 g/mol
LogP2.61
Rot. Bonds4

About (2S)-1-(1-benzofuran-2-yl)-2-(ethylamino)propan-1-one

(2S)-1-(1-benzofuran-2-yl)-2-(ethylamino)propan-1-one (PubChem CID 171632707) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is (2S)-1-(1-benzofuran-2-yl)-2-(ethylamino)propan-1-one.

Molecular Properties

Compound Name(2S)-1-(1-benzofuran-2-yl)-2-(ethylamino)propan-1-one
PubChem CID171632707
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name(2S)-1-(1-benzofuran-2-yl)-2-(ethylamino)propan-1-one
SMILESCCN[C@@H](C)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C13H15NO2/c1-3-14-9(2)13(15)12-8-10-6-4-5-7-11(10)16-12/h4-9,14H,3H2,1-2H3/t9-/m0/s1
InChIKeyTULDCYZSZGUDOL-VIFPVBQESA-N
XLogP2.61
TPSA42.24 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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 120654614
CID 171632715
CID 171632715
N-[2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 62659751
methyl 2-(1-benzofuran-2-carbonylamino)propanoate
CID 19167935
1-(1-benzofuran-2-yl)pentane-1,3-dione
CID 28896262
N-(2-chloropropyl)-1-benzofuran-2-carboxamide
CID 114296217
1-(1-benzofuran-2-yl)-2-ethoxy-2-phenylethanone
CID 114726260
1-(1-benzofuran-2-yl)ethanone
CID 15435
2-(1-benzofuran-2-ylmethylamino)propanamide
CID 43402391
N-(2-aminopropyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 69484360
1-(1-benzofuran-2-yl)-2,2-dimethylpropan-1-one
CID 13148492
N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 40623926

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1-benzofuran-2-yl)-2-(ethylamino)propan-1-one?
The IUPAC name of (2S)-1-(1-benzofuran-2-yl)-2-(ethylamino)propan-1-one (CID 171632707) is (2S)-1-(1-benzofuran-2-yl)-2-(ethylamino)propan-1-one.
What is the SMILES notation for (2S)-1-(1-benzofuran-2-yl)-2-(ethylamino)propan-1-one?
The canonical SMILES for (2S)-1-(1-benzofuran-2-yl)-2-(ethylamino)propan-1-one is CCN[C@@H](C)C(=O)c1cc2ccccc2o1.
What is the InChIKey of (2S)-1-(1-benzofuran-2-yl)-2-(ethylamino)propan-1-one?
The InChIKey is TULDCYZSZGUDOL-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15NO2/c1-3-14-9(2)13(15)12-8-10-6-4-5-7-11(10)16-12/h4-9,14H,3H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-1-(1-benzofuran-2-yl)-2-(ethylamino)propan-1-one?
(2S)-1-(1-benzofuran-2-yl)-2-(ethylamino)propan-1-one has a molecular weight of 217.27 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1-benzofuran-2-yl)-2-(ethylamino)propan-1-one is sourced from PubChem (CID 171632707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).