2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-1-thiophen-3-ylethanol

C17H19NO3S — CID 75472029

IUPAC2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-1-thiophen-3-ylethanol
SMILESCOc1cccc2cc(C(C)NCC(O)c3ccsc3)oc12
InChIInChI=1S/C17H19NO3S/c1-11(18-9-14(19)13-6-7-22-10-13)16-8-12-4-3-5-15(20-2)17(12)21-16/h3-8,10-11,14,18-19H,9H2,1-2H3
InChIKeyZQAYESOMJXWIAK-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.89
Rot. Bonds6

About 2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-1-thiophen-3-ylethanol

2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-1-thiophen-3-ylethanol (PubChem CID 75472029) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-1-thiophen-3-ylethanol
PubChem CID75472029
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-1-thiophen-3-ylethanol
SMILESCOc1cccc2cc(C(C)NCC(O)c3ccsc3)oc12
InChIInChI=1S/C17H19NO3S/c1-11(18-9-14(19)13-6-7-22-10-13)16-8-12-4-3-5-15(20-2)17(12)21-16/h3-8,10-11,14,18-19H,9H2,1-2H3
InChIKeyZQAYESOMJXWIAK-UHFFFAOYSA-N
XLogP3.89
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-1-thiophen-3-ylethanol 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-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-[(7-methoxy-1-benzofuran-2-yl)methyl]urea
CID 97215535
2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-thiophen-3-ylethanol
CID 103717090
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-methylbut-2-en-1-amine
CID 104578626
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78868688
2-[1-(2-methoxyphenyl)propan-2-ylamino]-1-thiophen-3-ylethanol
CID 103785255
2-[[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 175069255
1-(7-methoxy-1-benzofuran-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 61014584
N-[2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 91813433
3,3,3-trifluoro-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 63225887
1-(7-methoxy-1-benzofuran-2-yl)-N-(1,2-oxazol-5-ylmethyl)ethanamine
CID 104578623
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 90613369
(2S)-2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-3-methylbutan-1-ol
CID 79253278

Frequently Asked Questions

What is the IUPAC name of 2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-1-thiophen-3-ylethanol (CID 75472029) is 2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-1-thiophen-3-ylethanol is COc1cccc2cc(C(C)NCC(O)c3ccsc3)oc12.
What is the InChIKey of 2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-1-thiophen-3-ylethanol?
The InChIKey is ZQAYESOMJXWIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-11(18-9-14(19)13-6-7-22-10-13)16-8-12-4-3-5-15(20-2)17(12)21-16/h3-8,10-11,14,18-19H,9H2,1-2H3.
What are the key properties of 2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-1-thiophen-3-ylethanol?
2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-1-thiophen-3-ylethanol has a molecular weight of 317.41 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 75472029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).