2-[1-benzothiophen-3-ylmethyl(pentan-3-yl)amino]ethanol

C16H23NOS — CID 63738491

IUPAC2-[1-benzothiophen-3-ylmethyl(pentan-3-yl)amino]ethanol
SMILESCCC(CC)N(CCO)Cc1csc2ccccc12
InChIInChI=1S/C16H23NOS/c1-3-14(4-2)17(9-10-18)11-13-12-19-16-8-6-5-7-15(13)16/h5-8,12,14,18H,3-4,9-11H2,1-2H3
InChIKeyPJPSJIMZNBNPPT-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.88
Rot. Bonds7

About 2-[1-benzothiophen-3-ylmethyl(pentan-3-yl)amino]ethanol

2-[1-benzothiophen-3-ylmethyl(pentan-3-yl)amino]ethanol (PubChem CID 63738491) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is 2-[1-benzothiophen-3-ylmethyl(pentan-3-yl)amino]ethanol.

Molecular Properties

Compound Name2-[1-benzothiophen-3-ylmethyl(pentan-3-yl)amino]ethanol
PubChem CID63738491
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name2-[1-benzothiophen-3-ylmethyl(pentan-3-yl)amino]ethanol
SMILESCCC(CC)N(CCO)Cc1csc2ccccc12
InChIInChI=1S/C16H23NOS/c1-3-14(4-2)17(9-10-18)11-13-12-19-16-8-6-5-7-15(13)16/h5-8,12,14,18H,3-4,9-11H2,1-2H3
InChIKeyPJPSJIMZNBNPPT-UHFFFAOYSA-N
XLogP3.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzothiophen-3-ylmethyl)-N-(2-chloroethyl)pentan-3-amine
CID 63737446
[1-benzothiophen-3-ylmethyl(methyl)amino]methanol
CID 115229231
2-[[1-benzothiophen-3-ylmethyl(methyl)amino]methyl]butan-1-ol
CID 115250957
2-[pentan-3-yl(thiophen-2-ylmethyl)amino]ethanol
CID 62016059
2-[(2-ethoxyphenyl)methyl-pentan-3-ylamino]ethanol
CID 62014901
methyl 3-[1-benzothiophen-3-ylmethyl(ethyl)amino]propanoate
CID 62111485
2-[[1-benzothiophen-3-ylmethyl(ethyl)amino]methyl]aniline
CID 63737220
2-[1-benzothiophen-3-ylmethyl(propyl)amino]ethanethioamide
CID 63742819
4-(1-benzothiophen-3-yl)-N-ethyl-N-(2-hydroxyethyl)butanamide
CID 109468303
2-[[1-benzothiophen-3-ylmethyl(methyl)amino]methyl]aniline
CID 63737039
3-(1-benzothiophen-3-ylmethyl)pentan-2-amine
CID 63738810
N-(1-benzothiophen-3-ylmethyl)-N,4-dimethylpentanamide
CID 86990643

Frequently Asked Questions

What is the IUPAC name of 2-[1-benzothiophen-3-ylmethyl(pentan-3-yl)amino]ethanol?
The IUPAC name of 2-[1-benzothiophen-3-ylmethyl(pentan-3-yl)amino]ethanol (CID 63738491) is 2-[1-benzothiophen-3-ylmethyl(pentan-3-yl)amino]ethanol.
What is the SMILES notation for 2-[1-benzothiophen-3-ylmethyl(pentan-3-yl)amino]ethanol?
The canonical SMILES for 2-[1-benzothiophen-3-ylmethyl(pentan-3-yl)amino]ethanol is CCC(CC)N(CCO)Cc1csc2ccccc12.
What is the InChIKey of 2-[1-benzothiophen-3-ylmethyl(pentan-3-yl)amino]ethanol?
The InChIKey is PJPSJIMZNBNPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-3-14(4-2)17(9-10-18)11-13-12-19-16-8-6-5-7-15(13)16/h5-8,12,14,18H,3-4,9-11H2,1-2H3.
What are the key properties of 2-[1-benzothiophen-3-ylmethyl(pentan-3-yl)amino]ethanol?
2-[1-benzothiophen-3-ylmethyl(pentan-3-yl)amino]ethanol has a molecular weight of 277.43 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzothiophen-3-ylmethyl(pentan-3-yl)amino]ethanol is sourced from PubChem (CID 63738491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).