2-[2,3-dihydro-1-benzothiophen-3-ylmethyl(pyrrolidin-2-ylmethyl)amino]ethanol

C16H24N2OS — CID 106618055

IUPAC2-[2,3-dihydro-1-benzothiophen-3-ylmethyl(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESOCCN(CC1CCCN1)CC1CSc2ccccc21
InChIInChI=1S/C16H24N2OS/c19-9-8-18(11-14-4-3-7-17-14)10-13-12-20-16-6-2-1-5-15(13)16/h1-2,5-6,13-14,17,19H,3-4,7-12H2
InChIKeyAHTDIOILOVMQSA-UHFFFAOYSA-N
MW292.45 g/mol
LogP1.92
Rot. Bonds6

About 2-[2,3-dihydro-1-benzothiophen-3-ylmethyl(pyrrolidin-2-ylmethyl)amino]ethanol

2-[2,3-dihydro-1-benzothiophen-3-ylmethyl(pyrrolidin-2-ylmethyl)amino]ethanol (PubChem CID 106618055) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-[2,3-dihydro-1-benzothiophen-3-ylmethyl(pyrrolidin-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2,3-dihydro-1-benzothiophen-3-ylmethyl(pyrrolidin-2-ylmethyl)amino]ethanol
PubChem CID106618055
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name2-[2,3-dihydro-1-benzothiophen-3-ylmethyl(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESOCCN(CC1CCCN1)CC1CSc2ccccc21
InChIInChI=1S/C16H24N2OS/c19-9-8-18(11-14-4-3-7-17-14)10-13-12-20-16-6-2-1-5-15(13)16/h1-2,5-6,13-14,17,19H,3-4,7-12H2
InChIKeyAHTDIOILOVMQSA-UHFFFAOYSA-N
XLogP1.92
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635930
2-[2-phenylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606786
2-(2,3-dihydro-1-benzothiophen-3-ylmethoxymethyl)piperidine
CID 79221195
[(3R)-2,3-dihydro-1-benzothiophen-3-yl]methanol
CID 124511720
2-[2,3-dihydro-1H-inden-1-yl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606505
3-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 106607121
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 79716245
3-chloro-2-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 106607083
2-[2-(dimethylamino)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618094
2-[(3-cyclopropylphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606862
2-[(2-methyl-1-benzofuran-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606555
4-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzoic acid
CID 106617921

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1-benzothiophen-3-ylmethyl(pyrrolidin-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[2,3-dihydro-1-benzothiophen-3-ylmethyl(pyrrolidin-2-ylmethyl)amino]ethanol (CID 106618055) is 2-[2,3-dihydro-1-benzothiophen-3-ylmethyl(pyrrolidin-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[2,3-dihydro-1-benzothiophen-3-ylmethyl(pyrrolidin-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[2,3-dihydro-1-benzothiophen-3-ylmethyl(pyrrolidin-2-ylmethyl)amino]ethanol is OCCN(CC1CCCN1)CC1CSc2ccccc21.
What is the InChIKey of 2-[2,3-dihydro-1-benzothiophen-3-ylmethyl(pyrrolidin-2-ylmethyl)amino]ethanol?
The InChIKey is AHTDIOILOVMQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c19-9-8-18(11-14-4-3-7-17-14)10-13-12-20-16-6-2-1-5-15(13)16/h1-2,5-6,13-14,17,19H,3-4,7-12H2.
What are the key properties of 2-[2,3-dihydro-1-benzothiophen-3-ylmethyl(pyrrolidin-2-ylmethyl)amino]ethanol?
2-[2,3-dihydro-1-benzothiophen-3-ylmethyl(pyrrolidin-2-ylmethyl)amino]ethanol has a molecular weight of 292.45 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydro-1-benzothiophen-3-ylmethyl(pyrrolidin-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 106618055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).