4-[(3-methoxythiophen-2-yl)methyl-methylamino]butan-2-ol

C11H19NO2S — CID 115883078

IUPAC4-[(3-methoxythiophen-2-yl)methyl-methylamino]butan-2-ol
SMILESCOc1ccsc1CN(C)CCC(C)O
InChIInChI=1S/C11H19NO2S/c1-9(13)4-6-12(2)8-11-10(14-3)5-7-15-11/h5,7,9,13H,4,6,8H2,1-3H3
InChIKeyWVYVMZBTONGBQC-UHFFFAOYSA-N
MW229.34 g/mol
LogP1.96
Rot. Bonds6

About 4-[(3-methoxythiophen-2-yl)methyl-methylamino]butan-2-ol

4-[(3-methoxythiophen-2-yl)methyl-methylamino]butan-2-ol (PubChem CID 115883078) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is 4-[(3-methoxythiophen-2-yl)methyl-methylamino]butan-2-ol.

Molecular Properties

Compound Name4-[(3-methoxythiophen-2-yl)methyl-methylamino]butan-2-ol
PubChem CID115883078
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name4-[(3-methoxythiophen-2-yl)methyl-methylamino]butan-2-ol
SMILESCOc1ccsc1CN(C)CCC(C)O
InChIInChI=1S/C11H19NO2S/c1-9(13)4-6-12(2)8-11-10(14-3)5-7-15-11/h5,7,9,13H,4,6,8H2,1-3H3
InChIKeyWVYVMZBTONGBQC-UHFFFAOYSA-N
XLogP1.96
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[[3-hydroxybutyl(methyl)amino]methyl]-4-methoxyphenyl]ethanone
CID 115665994
2-[3-hydroxybutyl(methyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 111496842
4-[methyl(thiophen-3-ylmethyl)amino]butan-2-ol
CID 115883116
1-N-methyl-1-N-[(3-methylthiophen-2-yl)methyl]butane-1,3-diamine
CID 115199472
4-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide
CID 79200842
4-[(3-amino-5-methoxyphenyl)methyl-methylamino]butan-2-ol
CID 113499528
N-(3-hydroxybutyl)-2-(2-methoxyphenyl)-N-methylacetamide
CID 111695957
N-(5-chloro-2-methoxyphenyl)-3-[3-hydroxybutyl(methyl)amino]propanamide
CID 111488552
3-(3-methoxythiophen-2-yl)propan-1-amine
CID 170868166
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 51226646
methyl 2-fluoro-4-[[3-hydroxybutyl(methyl)amino]methyl]benzoate
CID 113254568
4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]butan-2-ol
CID 113246457

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxythiophen-2-yl)methyl-methylamino]butan-2-ol?
The IUPAC name of 4-[(3-methoxythiophen-2-yl)methyl-methylamino]butan-2-ol (CID 115883078) is 4-[(3-methoxythiophen-2-yl)methyl-methylamino]butan-2-ol.
What is the SMILES notation for 4-[(3-methoxythiophen-2-yl)methyl-methylamino]butan-2-ol?
The canonical SMILES for 4-[(3-methoxythiophen-2-yl)methyl-methylamino]butan-2-ol is COc1ccsc1CN(C)CCC(C)O.
What is the InChIKey of 4-[(3-methoxythiophen-2-yl)methyl-methylamino]butan-2-ol?
The InChIKey is WVYVMZBTONGBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-9(13)4-6-12(2)8-11-10(14-3)5-7-15-11/h5,7,9,13H,4,6,8H2,1-3H3.
What are the key properties of 4-[(3-methoxythiophen-2-yl)methyl-methylamino]butan-2-ol?
4-[(3-methoxythiophen-2-yl)methyl-methylamino]butan-2-ol has a molecular weight of 229.34 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxythiophen-2-yl)methyl-methylamino]butan-2-ol is sourced from PubChem (CID 115883078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).