3-(1-benzofuran-2-ylmethylamino)-2-methylsulfanylbutan-1-ol

C14H19NO2S — CID 103685027

IUPAC3-(1-benzofuran-2-ylmethylamino)-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)NCc1cc2ccccc2o1
InChIInChI=1S/C14H19NO2S/c1-10(14(9-16)18-2)15-8-12-7-11-5-3-4-6-13(11)17-12/h3-7,10,14-16H,8-9H2,1-2H3
InChIKeySTAXZWALRWESFH-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.63
Rot. Bonds6

About 3-(1-benzofuran-2-ylmethylamino)-2-methylsulfanylbutan-1-ol

3-(1-benzofuran-2-ylmethylamino)-2-methylsulfanylbutan-1-ol (PubChem CID 103685027) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-(1-benzofuran-2-ylmethylamino)-2-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-(1-benzofuran-2-ylmethylamino)-2-methylsulfanylbutan-1-ol
PubChem CID103685027
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name3-(1-benzofuran-2-ylmethylamino)-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)NCc1cc2ccccc2o1
InChIInChI=1S/C14H19NO2S/c1-10(14(9-16)18-2)15-8-12-7-11-5-3-4-6-13(11)17-12/h3-7,10,14-16H,8-9H2,1-2H3
InChIKeySTAXZWALRWESFH-UHFFFAOYSA-N
XLogP2.63
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzofuran-2-ylmethyl)-3-(4-hydroxy-3-methylsulfanylbutan-2-yl)urea
CID 111443751
(2S)-2-(1-benzofuran-2-ylmethylamino)propan-1-ol
CID 93082461
(2S)-2-(1-benzofuran-2-ylmethylamino)-3-methylbutan-1-ol
CID 79254599
(1S)-N-(1-benzofuran-2-ylmethyl)-1-phenylethanamine
CID 28609841
2-(1-benzofuran-2-ylmethylamino)propanamide
CID 43402391
N-(1-benzofuran-2-ylmethyl)-1-methoxypropan-2-amine
CID 43180579
N-(1-benzofuran-2-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 63981918
(1R)-N-(1-benzofuran-2-ylmethyl)-1-(furan-2-yl)ethanamine
CID 81403388
(1R)-N-(1-benzofuran-2-ylmethyl)-1-(2-methylphenyl)ethanamine
CID 28653087
N-(1-benzofuran-2-ylmethyl)-1-ethoxy-3-methylbutan-2-amine
CID 103271023
2-methylsulfanyl-3-(1H-pyrrol-2-ylmethylamino)butan-1-ol
CID 103578656
2-methylsulfanyl-3-(pyrimidin-2-ylmethylamino)butan-1-ol
CID 106160499

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-ylmethylamino)-2-methylsulfanylbutan-1-ol?
The IUPAC name of 3-(1-benzofuran-2-ylmethylamino)-2-methylsulfanylbutan-1-ol (CID 103685027) is 3-(1-benzofuran-2-ylmethylamino)-2-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-(1-benzofuran-2-ylmethylamino)-2-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-(1-benzofuran-2-ylmethylamino)-2-methylsulfanylbutan-1-ol is CSC(CO)C(C)NCc1cc2ccccc2o1.
What is the InChIKey of 3-(1-benzofuran-2-ylmethylamino)-2-methylsulfanylbutan-1-ol?
The InChIKey is STAXZWALRWESFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-10(14(9-16)18-2)15-8-12-7-11-5-3-4-6-13(11)17-12/h3-7,10,14-16H,8-9H2,1-2H3.
What are the key properties of 3-(1-benzofuran-2-ylmethylamino)-2-methylsulfanylbutan-1-ol?
3-(1-benzofuran-2-ylmethylamino)-2-methylsulfanylbutan-1-ol has a molecular weight of 265.38 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-ylmethylamino)-2-methylsulfanylbutan-1-ol is sourced from PubChem (CID 103685027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).