1-benzothiophen-2-yl(2,3-dihydrofuran-5-yl)methanamine

C13H13NOS — CID 102653581

IUPAC1-benzothiophen-2-yl(2,3-dihydrofuran-5-yl)methanamine
SMILESNC(C1=CCCO1)c1cc2ccccc2s1
InChIInChI=1S/C13H13NOS/c14-13(10-5-3-7-15-10)12-8-9-4-1-2-6-11(9)16-12/h1-2,4-6,8,13H,3,7,14H2
InChIKeyIBMRPDFXSIWSMI-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.21
Rot. Bonds2

About 1-benzothiophen-2-yl(2,3-dihydrofuran-5-yl)methanamine

1-benzothiophen-2-yl(2,3-dihydrofuran-5-yl)methanamine (PubChem CID 102653581) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is 1-benzothiophen-2-yl(2,3-dihydrofuran-5-yl)methanamine.

Molecular Properties

Compound Name1-benzothiophen-2-yl(2,3-dihydrofuran-5-yl)methanamine
PubChem CID102653581
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name1-benzothiophen-2-yl(2,3-dihydrofuran-5-yl)methanamine
SMILESNC(C1=CCCO1)c1cc2ccccc2s1
InChIInChI=1S/C13H13NOS/c14-13(10-5-3-7-15-10)12-8-9-4-1-2-6-11(9)16-12/h1-2,4-6,8,13H,3,7,14H2
InChIKeyIBMRPDFXSIWSMI-UHFFFAOYSA-N
XLogP3.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydrofuran-5-yl(thiophen-2-yl)methanamine
CID 102651186
1-benzothiophen-3-yl(2,3-dihydrofuran-5-yl)methanamine
CID 102653017
1-benzothiophen-2-yl(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 105033279
5-(1-benzothiophen-2-yl)-2,3-dihydrofuran
CID 135169502
1-(1-benzothiophen-2-yl)ethanamine
CID 3904659
1-benzothiophen-2-yl-(2,5-dichlorothiophen-3-yl)methanamine
CID 61406697
1-benzothiophen-2-yl-(4,5-dibromothiophen-2-yl)methanamine
CID 80532944
1-benzothiophen-2-yl-(2-chlorophenyl)methanamine
CID 70818866
1-benzothiophen-2-yl-(4-methylphenyl)methanamine
CID 61406920
2-(1-benzothiophen-2-yl)-4-methylpentan-3-amine
CID 114911206
2,3-dihydrofuran-5-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine
CID 102653234
1-benzothiophen-2-yl-(5-bromo-1-benzofuran-2-yl)methanamine
CID 114910339

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl(2,3-dihydrofuran-5-yl)methanamine?
The IUPAC name of 1-benzothiophen-2-yl(2,3-dihydrofuran-5-yl)methanamine (CID 102653581) is 1-benzothiophen-2-yl(2,3-dihydrofuran-5-yl)methanamine.
What is the SMILES notation for 1-benzothiophen-2-yl(2,3-dihydrofuran-5-yl)methanamine?
The canonical SMILES for 1-benzothiophen-2-yl(2,3-dihydrofuran-5-yl)methanamine is NC(C1=CCCO1)c1cc2ccccc2s1.
What is the InChIKey of 1-benzothiophen-2-yl(2,3-dihydrofuran-5-yl)methanamine?
The InChIKey is IBMRPDFXSIWSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c14-13(10-5-3-7-15-10)12-8-9-4-1-2-6-11(9)16-12/h1-2,4-6,8,13H,3,7,14H2.
What are the key properties of 1-benzothiophen-2-yl(2,3-dihydrofuran-5-yl)methanamine?
1-benzothiophen-2-yl(2,3-dihydrofuran-5-yl)methanamine has a molecular weight of 231.32 g/mol, XLogP of 3.21, 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(2,3-dihydrofuran-5-yl)methanamine is sourced from PubChem (CID 102653581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).