N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine

C18H23NOS — CID 66362896

About N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine

N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine (PubChem CID 66362896) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine.

Molecular Properties

• Compound Name: N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine
• PubChem CID: 66362896
• Molecular Formula: C18H23NOS
• Molecular Weight: 301.46 g/mol
• Exact Mass: 301.15
• IUPAC Name: N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine
• SMILES: Cc1ccc2c(c1)CC(CNC(C)Cc1ccc(C)s1)O2
• InChI: InChI=1S/C18H23NOS/c1-12-4-7-18-15(8-12)10-16(20-18)11-19-13(2)9-17-6-5-14(3)21-17/h4-8,13,16,19H,9-11H2,1-3H3
• InChIKey: MNFPHRUWKKSPHW-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 21.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	301.46
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine?

The IUPAC name of N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine (CID 66362896) is N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine.

What is the SMILES notation for N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine?

The canonical SMILES for N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine is Cc1ccc2c(c1)CC(CNC(C)Cc1ccc(C)s1)O2.

What is the InChIKey of N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine?

The InChIKey is MNFPHRUWKKSPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-12-4-7-18-15(8-12)10-16(20-18)11-19-13(2)9-17-6-5-14(3)21-17/h4-8,13,16,19H,9-11H2,1-3H3.

What are the key properties of N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine?

N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine has a molecular weight of 301.46 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine is sourced from PubChem (CID 66362896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).