(2S)-2-[1-(1-benzofuran-2-yl)ethylamino]-2-phenylethanol

C18H19NO2 — CID 103784129

IUPAC(2S)-2-[1-(1-benzofuran-2-yl)ethylamino]-2-phenylethanol
SMILESCC(N[C@H](CO)c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C18H19NO2/c1-13(18-11-15-9-5-6-10-17(15)21-18)19-16(12-20)14-7-3-2-4-8-14/h2-11,13,16,19-20H,12H2,1H3/t13?,16-/m1/s1
InChIKeyDXDYAHJRHGBBSE-FQNRMIAFSA-N
MW281.36 g/mol
LogP3.82
Rot. Bonds5

About (2S)-2-[1-(1-benzofuran-2-yl)ethylamino]-2-phenylethanol

(2S)-2-[1-(1-benzofuran-2-yl)ethylamino]-2-phenylethanol (PubChem CID 103784129) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (2S)-2-[1-(1-benzofuran-2-yl)ethylamino]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[1-(1-benzofuran-2-yl)ethylamino]-2-phenylethanol
PubChem CID103784129
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(2S)-2-[1-(1-benzofuran-2-yl)ethylamino]-2-phenylethanol
SMILESCC(N[C@H](CO)c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C18H19NO2/c1-13(18-11-15-9-5-6-10-17(15)21-18)19-16(12-20)14-7-3-2-4-8-14/h2-11,13,16,19-20H,12H2,1H3/t13?,16-/m1/s1
InChIKeyDXDYAHJRHGBBSE-FQNRMIAFSA-N
XLogP3.82
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(1-benzofuran-2-yl)ethylamino]-4-methylpentan-1-ol
CID 103786549
N-[1-(1-benzofuran-2-yl)ethyl]butan-2-amine
CID 43190306
2-[1-(1-benzofuran-2-yl)ethylamino]-N,N-diethyl-2-phenylacetamide
CID 112798759
N-[1-(1-benzofuran-2-yl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 62631823
(3S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(carbamoylamino)-3-phenylpropanamide
CID 26132466
(2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-phenylethanol
CID 107093791
(1S)-N-[1-(1-benzofuran-2-yl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81353159
N-[1-(1-benzofuran-2-yl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 43205961
5-[1-[(2-hydroxy-1-phenylethyl)amino]ethyl]benzene-1,3-diol
CID 107706519
3-[1-(1-benzofuran-2-yl)ethylamino]propan-1-ol
CID 43182921
2-(benzhydrylamino)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide
CID 8596608
N-[1-(1-benzofuran-2-yl)ethyl]pent-4-yn-2-amine
CID 115725359

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(1-benzofuran-2-yl)ethylamino]-2-phenylethanol?
The IUPAC name of (2S)-2-[1-(1-benzofuran-2-yl)ethylamino]-2-phenylethanol (CID 103784129) is (2S)-2-[1-(1-benzofuran-2-yl)ethylamino]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[1-(1-benzofuran-2-yl)ethylamino]-2-phenylethanol?
The canonical SMILES for (2S)-2-[1-(1-benzofuran-2-yl)ethylamino]-2-phenylethanol is CC(N[C@H](CO)c1ccccc1)c1cc2ccccc2o1.
What is the InChIKey of (2S)-2-[1-(1-benzofuran-2-yl)ethylamino]-2-phenylethanol?
The InChIKey is DXDYAHJRHGBBSE-FQNRMIAFSA-N. The full InChI is InChI=1S/C18H19NO2/c1-13(18-11-15-9-5-6-10-17(15)21-18)19-16(12-20)14-7-3-2-4-8-14/h2-11,13,16,19-20H,12H2,1H3/t13?,16-/m1/s1.
What are the key properties of (2S)-2-[1-(1-benzofuran-2-yl)ethylamino]-2-phenylethanol?
(2S)-2-[1-(1-benzofuran-2-yl)ethylamino]-2-phenylethanol has a molecular weight of 281.36 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(1-benzofuran-2-yl)ethylamino]-2-phenylethanol is sourced from PubChem (CID 103784129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).