2,3-dihydro-1-benzothiophen-3-yl(furan-3-yl)methanamine

C13H13NOS — CID 105146701

IUPAC2,3-dihydro-1-benzothiophen-3-yl(furan-3-yl)methanamine
SMILESNC(c1ccoc1)C1CSc2ccccc21
InChIInChI=1S/C13H13NOS/c14-13(9-5-6-15-7-9)11-8-16-12-4-2-1-3-10(11)12/h1-7,11,13H,8,14H2
InChIKeyURLMGVQPLZAUCB-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.17
Rot. Bonds2

About 2,3-dihydro-1-benzothiophen-3-yl(furan-3-yl)methanamine

2,3-dihydro-1-benzothiophen-3-yl(furan-3-yl)methanamine (PubChem CID 105146701) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is 2,3-dihydro-1-benzothiophen-3-yl(furan-3-yl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1-benzothiophen-3-yl(furan-3-yl)methanamine
PubChem CID105146701
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name2,3-dihydro-1-benzothiophen-3-yl(furan-3-yl)methanamine
SMILESNC(c1ccoc1)C1CSc2ccccc21
InChIInChI=1S/C13H13NOS/c14-13(9-5-6-15-7-9)11-8-16-12-4-2-1-3-10(11)12/h1-7,11,13H,8,14H2
InChIKeyURLMGVQPLZAUCB-UHFFFAOYSA-N
XLogP3.17
TPSA39.16 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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2,3-dihydro-1-benzothiophen-3-yl(furan-3-yl)methyl]ethanamine
CID 105146656
2,3-dihydro-1-benzothiophen-3-yl-(1-methylimidazol-2-yl)methanamine
CID 105149588
cyclohepten-1-yl(2,3-dihydro-1-benzothiophen-3-yl)methanamine
CID 106657047
2,3-dihydro-1-benzothiophen-3-yl-(2,3-dimethylphenyl)methanamine
CID 105140626
2,3-dihydro-1-benzothiophen-3-yl-(3-methylthiophen-2-yl)methanamine
CID 105166501
2,3-dihydro-1-benzothiophen-3-yl(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 105187280
1-(2,3-dihydro-1-benzothiophen-3-yl)-4-methylpentan-1-amine
CID 105126981
2-cyclopentyl-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine
CID 105138979
1-(2,3-dihydro-1-benzothiophen-3-yl)but-3-yn-1-amine
CID 105077457
2,3-dihydro-1-benzothiophen-3-yl-(3-propyltriazol-4-yl)methanamine
CID 105182209
[cyclopropyl(2,3-dihydro-1-benzothiophen-3-yl)methyl]hydrazine
CID 105314544
2,3-dihydro-1-benzothiophen-3-yl-(5-fluoro-2-methoxyphenyl)methanamine
CID 105176556

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzothiophen-3-yl(furan-3-yl)methanamine?
The IUPAC name of 2,3-dihydro-1-benzothiophen-3-yl(furan-3-yl)methanamine (CID 105146701) is 2,3-dihydro-1-benzothiophen-3-yl(furan-3-yl)methanamine.
What is the SMILES notation for 2,3-dihydro-1-benzothiophen-3-yl(furan-3-yl)methanamine?
The canonical SMILES for 2,3-dihydro-1-benzothiophen-3-yl(furan-3-yl)methanamine is NC(c1ccoc1)C1CSc2ccccc21.
What is the InChIKey of 2,3-dihydro-1-benzothiophen-3-yl(furan-3-yl)methanamine?
The InChIKey is URLMGVQPLZAUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c14-13(9-5-6-15-7-9)11-8-16-12-4-2-1-3-10(11)12/h1-7,11,13H,8,14H2.
What are the key properties of 2,3-dihydro-1-benzothiophen-3-yl(furan-3-yl)methanamine?
2,3-dihydro-1-benzothiophen-3-yl(furan-3-yl)methanamine has a molecular weight of 231.32 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzothiophen-3-yl(furan-3-yl)methanamine is sourced from PubChem (CID 105146701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).