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

C18H23NOS — CID 80526501

IUPAC2-methyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-2-ylpropan-1-amine
SMILESCc1ccc2c(c1)CC(CNCC(C)(C)c1cccs1)O2
InChIInChI=1S/C18H23NOS/c1-13-6-7-16-14(9-13)10-15(20-16)11-19-12-18(2,3)17-5-4-8-21-17/h4-9,15,19H,10-12H2,1-3H3
InChIKeyRGOMCYOYLXMOAL-UHFFFAOYSA-N
MW301.45 g/mol
LogP3.93
Rot. Bonds5

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

2-methyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-2-ylpropan-1-amine (PubChem CID 80526501) has the molecular formula C18H23NOS and a molecular weight of 301.45 g/mol. Its IUPAC name is 2-methyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-2-ylpropan-1-amine
PubChem CID80526501
Molecular FormulaC18H23NOS
Molecular Weight301.45 g/mol
Exact Mass301.15
IUPAC Name2-methyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-2-ylpropan-1-amine
SMILESCc1ccc2c(c1)CC(CNCC(C)(C)c1cccs1)O2
InChIInChI=1S/C18H23NOS/c1-13-6-7-16-14(9-13)10-15(20-16)11-19-12-18(2,3)17-5-4-8-21-17/h4-9,15,19H,10-12H2,1-3H3
InChIKeyRGOMCYOYLXMOAL-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-2-ylpropan-1-amine?
The IUPAC name of 2-methyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-2-ylpropan-1-amine (CID 80526501) is 2-methyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 2-methyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-2-ylpropan-1-amine is Cc1ccc2c(c1)CC(CNCC(C)(C)c1cccs1)O2.
What is the InChIKey of 2-methyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-2-ylpropan-1-amine?
The InChIKey is RGOMCYOYLXMOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-13-6-7-16-14(9-13)10-15(20-16)11-19-12-18(2,3)17-5-4-8-21-17/h4-9,15,19H,10-12H2,1-3H3.
What are the key properties of 2-methyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-2-ylpropan-1-amine?
2-methyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-2-ylpropan-1-amine has a molecular weight of 301.45 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 80526501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).