2-[2-(2-aminoethylsulfanylmethyl)-1-benzofuran-6-yl]propan-2-amine

C14H20N2OS — CID 70482672

IUPAC2-[2-(2-aminoethylsulfanylmethyl)-1-benzofuran-6-yl]propan-2-amine
SMILESCC(C)(N)c1ccc2cc(CSCCN)oc2c1
InChIInChI=1S/C14H20N2OS/c1-14(2,16)11-4-3-10-7-12(9-18-6-5-15)17-13(10)8-11/h3-4,7-8H,5-6,9,15-16H2,1-2H3
InChIKeyQMNDEUXWSMRJIU-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.82
Rot. Bonds5

About 2-[2-(2-aminoethylsulfanylmethyl)-1-benzofuran-6-yl]propan-2-amine

2-[2-(2-aminoethylsulfanylmethyl)-1-benzofuran-6-yl]propan-2-amine (PubChem CID 70482672) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-[2-(2-aminoethylsulfanylmethyl)-1-benzofuran-6-yl]propan-2-amine.

Molecular Properties

Compound Name2-[2-(2-aminoethylsulfanylmethyl)-1-benzofuran-6-yl]propan-2-amine
PubChem CID70482672
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name2-[2-(2-aminoethylsulfanylmethyl)-1-benzofuran-6-yl]propan-2-amine
SMILESCC(C)(N)c1ccc2cc(CSCCN)oc2c1
InChIInChI=1S/C14H20N2OS/c1-14(2,16)11-4-3-10-7-12(9-18-6-5-15)17-13(10)8-11/h3-4,7-8H,5-6,9,15-16H2,1-2H3
InChIKeyQMNDEUXWSMRJIU-UHFFFAOYSA-N
XLogP2.82
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethylsulfanylmethyl)-1-benzofuran-6-yl]propan-2-amine?
The IUPAC name of 2-[2-(2-aminoethylsulfanylmethyl)-1-benzofuran-6-yl]propan-2-amine (CID 70482672) is 2-[2-(2-aminoethylsulfanylmethyl)-1-benzofuran-6-yl]propan-2-amine.
What is the SMILES notation for 2-[2-(2-aminoethylsulfanylmethyl)-1-benzofuran-6-yl]propan-2-amine?
The canonical SMILES for 2-[2-(2-aminoethylsulfanylmethyl)-1-benzofuran-6-yl]propan-2-amine is CC(C)(N)c1ccc2cc(CSCCN)oc2c1.
What is the InChIKey of 2-[2-(2-aminoethylsulfanylmethyl)-1-benzofuran-6-yl]propan-2-amine?
The InChIKey is QMNDEUXWSMRJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-14(2,16)11-4-3-10-7-12(9-18-6-5-15)17-13(10)8-11/h3-4,7-8H,5-6,9,15-16H2,1-2H3.
What are the key properties of 2-[2-(2-aminoethylsulfanylmethyl)-1-benzofuran-6-yl]propan-2-amine?
2-[2-(2-aminoethylsulfanylmethyl)-1-benzofuran-6-yl]propan-2-amine has a molecular weight of 264.39 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethylsulfanylmethyl)-1-benzofuran-6-yl]propan-2-amine is sourced from PubChem (CID 70482672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).