1-[3-(2-phenylethyl)-1-benzofuran-2-yl]-2-(propan-2-ylamino)ethanol;hydrochloride

C21H26ClNO2 — CID 67918891

IUPAC1-[3-(2-phenylethyl)-1-benzofuran-2-yl]-2-(propan-2-ylamino)ethanol;hydrochloride
SMILESCC(C)NCC(O)c1oc2ccccc2c1CCc1ccccc1.Cl
InChIInChI=1S/C21H25NO2.ClH/c1-15(2)22-14-19(23)21-18(13-12-16-8-4-3-5-9-16)17-10-6-7-11-20(17)24-21;/h3-11,15,19,22-23H,12-14H2,1-2H3;1H
InChIKeyPZQUQFOFKOGFAT-UHFFFAOYSA-N
MW359.90 g/mol
LogP4.67
Rot. Bonds7

About 1-[3-(2-phenylethyl)-1-benzofuran-2-yl]-2-(propan-2-ylamino)ethanol;hydrochloride

1-[3-(2-phenylethyl)-1-benzofuran-2-yl]-2-(propan-2-ylamino)ethanol;hydrochloride (PubChem CID 67918891) has the molecular formula C21H26ClNO2 and a molecular weight of 359.90 g/mol. Its IUPAC name is 1-[3-(2-phenylethyl)-1-benzofuran-2-yl]-2-(propan-2-ylamino)ethanol;hydrochloride.

Molecular Properties

Compound Name1-[3-(2-phenylethyl)-1-benzofuran-2-yl]-2-(propan-2-ylamino)ethanol;hydrochloride
PubChem CID67918891
Molecular FormulaC21H26ClNO2
Molecular Weight359.90 g/mol
Exact Mass359.17
IUPAC Name1-[3-(2-phenylethyl)-1-benzofuran-2-yl]-2-(propan-2-ylamino)ethanol;hydrochloride
SMILESCC(C)NCC(O)c1oc2ccccc2c1CCc1ccccc1.Cl
InChIInChI=1S/C21H25NO2.ClH/c1-15(2)22-14-19(23)21-18(13-12-16-8-4-3-5-9-16)17-10-6-7-11-20(17)24-21;/h3-11,15,19,22-23H,12-14H2,1-2H3;1H
InChIKeyPZQUQFOFKOGFAT-UHFFFAOYSA-N
XLogP4.67
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethyl-1-benzofuran-2-yl)-2-(propylamino)ethanol
CID 10423975
2-oxo-4-(2-phenylethyl)chromene-3-carboxylic acid
CID 101228939
3-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 103921055
N-[[3-(ethoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 62443711
4-[2-(2-butyl-1-benzofuran-3-yl)ethyl]phenol
CID 23445648
2-but-3-en-2-yl-3-propyl-1-benzofuran
CID 123920542
3-(3-ethyl-1-benzofuran-2-yl)butanoic acid
CID 43211333
2-tert-butyl-5-phenyl-N-propan-2-ylpentan-1-amine
CID 83138928
N-(2-benzamidooxyethyl)-3-(2-phenylethyl)-1-benzofuran-2-carboxamide
CID 91471027
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
1-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-2-ol
CID 43226104
2-(2-phenylethyl)-3-prop-2-enyl-1-benzofuran
CID 101375091

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-phenylethyl)-1-benzofuran-2-yl]-2-(propan-2-ylamino)ethanol;hydrochloride?
The IUPAC name of 1-[3-(2-phenylethyl)-1-benzofuran-2-yl]-2-(propan-2-ylamino)ethanol;hydrochloride (CID 67918891) is 1-[3-(2-phenylethyl)-1-benzofuran-2-yl]-2-(propan-2-ylamino)ethanol;hydrochloride.
What is the SMILES notation for 1-[3-(2-phenylethyl)-1-benzofuran-2-yl]-2-(propan-2-ylamino)ethanol;hydrochloride?
The canonical SMILES for 1-[3-(2-phenylethyl)-1-benzofuran-2-yl]-2-(propan-2-ylamino)ethanol;hydrochloride is CC(C)NCC(O)c1oc2ccccc2c1CCc1ccccc1.Cl.
What is the InChIKey of 1-[3-(2-phenylethyl)-1-benzofuran-2-yl]-2-(propan-2-ylamino)ethanol;hydrochloride?
The InChIKey is PZQUQFOFKOGFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2.ClH/c1-15(2)22-14-19(23)21-18(13-12-16-8-4-3-5-9-16)17-10-6-7-11-20(17)24-21;/h3-11,15,19,22-23H,12-14H2,1-2H3;1H.
What are the key properties of 1-[3-(2-phenylethyl)-1-benzofuran-2-yl]-2-(propan-2-ylamino)ethanol;hydrochloride?
1-[3-(2-phenylethyl)-1-benzofuran-2-yl]-2-(propan-2-ylamino)ethanol;hydrochloride has a molecular weight of 359.90 g/mol, XLogP of 4.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-phenylethyl)-1-benzofuran-2-yl]-2-(propan-2-ylamino)ethanol;hydrochloride is sourced from PubChem (CID 67918891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).