2-[[1-benzothiophen-3-ylmethyl(methyl)amino]methyl]butan-1-ol

C15H21NOS — CID 115250957

IUPAC2-[[1-benzothiophen-3-ylmethyl(methyl)amino]methyl]butan-1-ol
SMILESCCC(CO)CN(C)Cc1csc2ccccc12
InChIInChI=1S/C15H21NOS/c1-3-12(10-17)8-16(2)9-13-11-18-15-7-5-4-6-14(13)15/h4-7,11-12,17H,3,8-10H2,1-2H3
InChIKeyDHRVODLGNMIBGE-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.35
Rot. Bonds6

About 2-[[1-benzothiophen-3-ylmethyl(methyl)amino]methyl]butan-1-ol

2-[[1-benzothiophen-3-ylmethyl(methyl)amino]methyl]butan-1-ol (PubChem CID 115250957) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-[[1-benzothiophen-3-ylmethyl(methyl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-[[1-benzothiophen-3-ylmethyl(methyl)amino]methyl]butan-1-ol
PubChem CID115250957
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name2-[[1-benzothiophen-3-ylmethyl(methyl)amino]methyl]butan-1-ol
SMILESCCC(CO)CN(C)Cc1csc2ccccc12
InChIInChI=1S/C15H21NOS/c1-3-12(10-17)8-16(2)9-13-11-18-15-7-5-4-6-14(13)15/h4-7,11-12,17H,3,8-10H2,1-2H3
InChIKeyDHRVODLGNMIBGE-UHFFFAOYSA-N
XLogP3.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-benzothiophen-3-ylmethyl(methyl)amino]methanol
CID 115229231
N-(1-benzothiophen-3-ylmethyl)-3-methoxy-N,2-dimethylpropan-1-amine
CID 126804186
2-(aminomethyl)-3-(1-benzothiophen-3-yl)propan-1-ol
CID 63738868
2-[1-benzothiophen-3-ylmethyl(pentan-3-yl)amino]ethanol
CID 63738491
3-[1-benzothiophen-3-ylmethyl(methyl)amino]propanoic acid;hydrochloride
CID 172907533
2-[[1-benzothiophen-3-ylmethyl(methyl)amino]methyl]aniline
CID 63737039
N-(1-benzothiophen-3-ylmethyl)-2,2,2-trifluoro-N-methylethanamine
CID 115257994
1-[1-benzothiophen-3-ylmethyl(methyl)amino]-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 167921704
N-(1-benzothiophen-3-ylmethyl)-N-methyl-2-oxoacetamide
CID 115166467
2-(1-benzothiophen-3-ylmethyl)-3-(2-methylphenyl)propan-1-ol
CID 66057840
4-[[1-benzothiophen-3-ylmethyl(methyl)amino]methyl]aniline
CID 63737038
3-[1-benzothiophen-3-ylmethyl(methyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 138045748

Frequently Asked Questions

What is the IUPAC name of 2-[[1-benzothiophen-3-ylmethyl(methyl)amino]methyl]butan-1-ol?
The IUPAC name of 2-[[1-benzothiophen-3-ylmethyl(methyl)amino]methyl]butan-1-ol (CID 115250957) is 2-[[1-benzothiophen-3-ylmethyl(methyl)amino]methyl]butan-1-ol.
What is the SMILES notation for 2-[[1-benzothiophen-3-ylmethyl(methyl)amino]methyl]butan-1-ol?
The canonical SMILES for 2-[[1-benzothiophen-3-ylmethyl(methyl)amino]methyl]butan-1-ol is CCC(CO)CN(C)Cc1csc2ccccc12.
What is the InChIKey of 2-[[1-benzothiophen-3-ylmethyl(methyl)amino]methyl]butan-1-ol?
The InChIKey is DHRVODLGNMIBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-3-12(10-17)8-16(2)9-13-11-18-15-7-5-4-6-14(13)15/h4-7,11-12,17H,3,8-10H2,1-2H3.
What are the key properties of 2-[[1-benzothiophen-3-ylmethyl(methyl)amino]methyl]butan-1-ol?
2-[[1-benzothiophen-3-ylmethyl(methyl)amino]methyl]butan-1-ol has a molecular weight of 263.41 g/mol, XLogP of 3.35, 6 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(methyl)amino]methyl]butan-1-ol is sourced from PubChem (CID 115250957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).