N-(1-benzofuran-3-ylmethyl)-4-methylsulfanylbutan-2-amine

C14H19NOS — CID 115750426

IUPACN-(1-benzofuran-3-ylmethyl)-4-methylsulfanylbutan-2-amine
SMILESCSCCC(C)NCc1coc2ccccc12
InChIInChI=1S/C14H19NOS/c1-11(7-8-17-2)15-9-12-10-16-14-6-4-3-5-13(12)14/h3-6,10-11,15H,7-9H2,1-2H3
InChIKeyAYQRNGICHJQIPB-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.66
Rot. Bonds6

About N-(1-benzofuran-3-ylmethyl)-4-methylsulfanylbutan-2-amine

N-(1-benzofuran-3-ylmethyl)-4-methylsulfanylbutan-2-amine (PubChem CID 115750426) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)-4-methylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)-4-methylsulfanylbutan-2-amine
PubChem CID115750426
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC NameN-(1-benzofuran-3-ylmethyl)-4-methylsulfanylbutan-2-amine
SMILESCSCCC(C)NCc1coc2ccccc12
InChIInChI=1S/C14H19NOS/c1-11(7-8-17-2)15-9-12-10-16-14-6-4-3-5-13(12)14/h3-6,10-11,15H,7-9H2,1-2H3
InChIKeyAYQRNGICHJQIPB-UHFFFAOYSA-N
XLogP3.66
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzofuran-3-ylmethyl)octan-2-amine
CID 80700860
N-(1-benzofuran-3-ylmethyl)pent-4-yn-2-amine
CID 115750447
N-(1-benzofuran-3-ylmethyl)-1-phenylpropan-2-amine
CID 80700525
4-(1-benzofuran-3-yl)-N-ethylbutan-2-amine
CID 80703561
N-(1-benzofuran-3-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 80701226
N-(1-benzofuran-3-ylmethyl)-1-(5-methylthiophen-2-yl)propan-2-amine
CID 80703134
3-(1-benzofuran-3-ylmethylamino)butanamide
CID 115677058
2-N-(1-benzofuran-3-ylmethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 80701303
2-(1-benzofuran-3-ylmethylamino)propanenitrile
CID 115130217
N-(1-benzofuran-3-ylmethyl)but-3-yn-2-amine
CID 114414908
N-(1-benzofuran-3-ylmethyl)but-3-en-2-amine
CID 115750474
N-(1-benzofuran-3-ylmethyl)-1-cyclopropylethanamine
CID 79690307

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)-4-methylsulfanylbutan-2-amine?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)-4-methylsulfanylbutan-2-amine (CID 115750426) is N-(1-benzofuran-3-ylmethyl)-4-methylsulfanylbutan-2-amine.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)-4-methylsulfanylbutan-2-amine?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)-4-methylsulfanylbutan-2-amine is CSCCC(C)NCc1coc2ccccc12.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)-4-methylsulfanylbutan-2-amine?
The InChIKey is AYQRNGICHJQIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-11(7-8-17-2)15-9-12-10-16-14-6-4-3-5-13(12)14/h3-6,10-11,15H,7-9H2,1-2H3.
What are the key properties of N-(1-benzofuran-3-ylmethyl)-4-methylsulfanylbutan-2-amine?
N-(1-benzofuran-3-ylmethyl)-4-methylsulfanylbutan-2-amine has a molecular weight of 249.38 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-ylmethyl)-4-methylsulfanylbutan-2-amine is sourced from PubChem (CID 115750426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).