1-benzothiophen-2-yl-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine

C18H17NOS — CID 61406740

IUPAC1-benzothiophen-2-yl-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
SMILESCC1Cc2cc(C(N)c3cc4ccccc4s3)ccc2O1
InChIInChI=1S/C18H17NOS/c1-11-8-14-9-13(6-7-15(14)20-11)18(19)17-10-12-4-2-3-5-16(12)21-17/h2-7,9-11,18H,8,19H2,1H3
InChIKeyRFEAZGIBOVVMMA-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.27
Rot. Bonds2

About 1-benzothiophen-2-yl-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine

1-benzothiophen-2-yl-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine (PubChem CID 61406740) has the molecular formula C18H17NOS and a molecular weight of 295.41 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine.

Molecular Properties

Compound Name1-benzothiophen-2-yl-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
PubChem CID61406740
Molecular FormulaC18H17NOS
Molecular Weight295.41 g/mol
Exact Mass295.10
IUPAC Name1-benzothiophen-2-yl-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
SMILESCC1Cc2cc(C(N)c3cc4ccccc4s3)ccc2O1
InChIInChI=1S/C18H17NOS/c1-11-8-14-9-13(6-7-15(14)20-11)18(19)17-10-12-4-2-3-5-16(12)21-17/h2-7,9-11,18H,8,19H2,1H3
InChIKeyRFEAZGIBOVVMMA-UHFFFAOYSA-N
XLogP4.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine?
The IUPAC name of 1-benzothiophen-2-yl-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine (CID 61406740) is 1-benzothiophen-2-yl-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine.
What is the SMILES notation for 1-benzothiophen-2-yl-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine?
The canonical SMILES for 1-benzothiophen-2-yl-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine is CC1Cc2cc(C(N)c3cc4ccccc4s3)ccc2O1.
What is the InChIKey of 1-benzothiophen-2-yl-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine?
The InChIKey is RFEAZGIBOVVMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NOS/c1-11-8-14-9-13(6-7-15(14)20-11)18(19)17-10-12-4-2-3-5-16(12)21-17/h2-7,9-11,18H,8,19H2,1H3.
What are the key properties of 1-benzothiophen-2-yl-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine?
1-benzothiophen-2-yl-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine has a molecular weight of 295.41 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine is sourced from PubChem (CID 61406740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).