N-(1-benzofuran-3-ylmethyl)-1-(5-methylthiophen-2-yl)propan-2-amine

C17H19NOS — CID 80703134

IUPACN-(1-benzofuran-3-ylmethyl)-1-(5-methylthiophen-2-yl)propan-2-amine
SMILESCc1ccc(CC(C)NCc2coc3ccccc23)s1
InChIInChI=1S/C17H19NOS/c1-12(9-15-8-7-13(2)20-15)18-10-14-11-19-17-6-4-3-5-16(14)17/h3-8,11-12,18H,9-10H2,1-2H3
InChIKeyIMJHIZNITWGFET-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.52
Rot. Bonds5

About N-(1-benzofuran-3-ylmethyl)-1-(5-methylthiophen-2-yl)propan-2-amine

N-(1-benzofuran-3-ylmethyl)-1-(5-methylthiophen-2-yl)propan-2-amine (PubChem CID 80703134) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)-1-(5-methylthiophen-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)-1-(5-methylthiophen-2-yl)propan-2-amine
PubChem CID80703134
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC NameN-(1-benzofuran-3-ylmethyl)-1-(5-methylthiophen-2-yl)propan-2-amine
SMILESCc1ccc(CC(C)NCc2coc3ccccc23)s1
InChIInChI=1S/C17H19NOS/c1-12(9-15-8-7-13(2)20-15)18-10-14-11-19-17-6-4-3-5-16(14)17/h3-8,11-12,18H,9-10H2,1-2H3
InChIKeyIMJHIZNITWGFET-UHFFFAOYSA-N
XLogP4.52
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzofuran-3-ylmethyl)-1-phenylpropan-2-amine
CID 80700525
2-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]aniline
CID 66416923
N-(1-benzofuran-3-ylmethyl)pent-4-yn-2-amine
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N-(1-benzofuran-3-ylmethyl)-4-methylsulfanylbutan-2-amine
CID 115750426
N-(1-benzofuran-3-ylmethyl)-1-cyclopropylethanamine
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CID 80701226
3-(1-benzofuran-3-ylmethylamino)butanamide
CID 115677058
N-(1-benzofuran-3-ylmethyl)octan-2-amine
CID 80700860
N-(1-benzofuran-3-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 80701216
N-(1-benzofuran-3-ylmethyl)but-3-en-2-amine
CID 115750474
2-(1-benzofuran-3-ylmethylamino)propanenitrile
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N-(1-benzofuran-3-ylmethyl)but-3-yn-2-amine
CID 114414908

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)-1-(5-methylthiophen-2-yl)propan-2-amine?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)-1-(5-methylthiophen-2-yl)propan-2-amine (CID 80703134) is N-(1-benzofuran-3-ylmethyl)-1-(5-methylthiophen-2-yl)propan-2-amine.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)-1-(5-methylthiophen-2-yl)propan-2-amine?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)-1-(5-methylthiophen-2-yl)propan-2-amine is Cc1ccc(CC(C)NCc2coc3ccccc23)s1.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)-1-(5-methylthiophen-2-yl)propan-2-amine?
The InChIKey is IMJHIZNITWGFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-12(9-15-8-7-13(2)20-15)18-10-14-11-19-17-6-4-3-5-16(14)17/h3-8,11-12,18H,9-10H2,1-2H3.
What are the key properties of N-(1-benzofuran-3-ylmethyl)-1-(5-methylthiophen-2-yl)propan-2-amine?
N-(1-benzofuran-3-ylmethyl)-1-(5-methylthiophen-2-yl)propan-2-amine has a molecular weight of 285.41 g/mol, XLogP of 4.52, 5 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)-1-(5-methylthiophen-2-yl)propan-2-amine is sourced from PubChem (CID 80703134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).