2,3-dihydro-1-benzofuran-5-yl-(4,5-dimethylthiophen-2-yl)methanamine

C15H17NOS — CID 65237495

IUPAC2,3-dihydro-1-benzofuran-5-yl-(4,5-dimethylthiophen-2-yl)methanamine
SMILESCc1cc(C(N)c2ccc3c(c2)CCO3)sc1C
InChIInChI=1S/C15H17NOS/c1-9-7-14(18-10(9)2)15(16)12-3-4-13-11(8-12)5-6-17-13/h3-4,7-8,15H,5-6,16H2,1-2H3
InChIKeyWBIUDNLUEHNIDM-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.35
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-5-yl-(4,5-dimethylthiophen-2-yl)methanamine

2,3-dihydro-1-benzofuran-5-yl-(4,5-dimethylthiophen-2-yl)methanamine (PubChem CID 65237495) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl-(4,5-dimethylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl-(4,5-dimethylthiophen-2-yl)methanamine
PubChem CID65237495
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name2,3-dihydro-1-benzofuran-5-yl-(4,5-dimethylthiophen-2-yl)methanamine
SMILESCc1cc(C(N)c2ccc3c(c2)CCO3)sc1C
InChIInChI=1S/C15H17NOS/c1-9-7-14(18-10(9)2)15(16)12-3-4-13-11(8-12)5-6-17-13/h3-4,7-8,15H,5-6,16H2,1-2H3
InChIKeyWBIUDNLUEHNIDM-UHFFFAOYSA-N
XLogP3.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2,3-dihydro-1-benzofuran-5-yl-(4,5-dimethylthiophen-2-yl)methyl]hydrazine
CID 105333829
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanamine
CID 43198444
(5-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 43464388
2,3-dihydro-1-benzofuran-5-yl(thieno[3,2-b]thiophen-5-yl)methanamine
CID 80733287
(S)-2,3-dihydro-1-benzofuran-5-yl(thiophen-2-yl)methanamine
CID 171202497
(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 113425095
2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43198470
(3,3-dimethyl-2H-1-benzofuran-5-yl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 107293519
2,3-dihydro-1,4-benzodioxin-6-yl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 43119103
2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-2-yl)methanamine
CID 43464379
(2-bromo-3-methylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 107981824
(R)-2,3-dihydro-1-benzofuran-5-yl(thiophen-3-yl)methanamine
CID 171222054

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(4,5-dimethylthiophen-2-yl)methanamine?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(4,5-dimethylthiophen-2-yl)methanamine (CID 65237495) is 2,3-dihydro-1-benzofuran-5-yl-(4,5-dimethylthiophen-2-yl)methanamine.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl-(4,5-dimethylthiophen-2-yl)methanamine?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl-(4,5-dimethylthiophen-2-yl)methanamine is Cc1cc(C(N)c2ccc3c(c2)CCO3)sc1C.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl-(4,5-dimethylthiophen-2-yl)methanamine?
The InChIKey is WBIUDNLUEHNIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-9-7-14(18-10(9)2)15(16)12-3-4-13-11(8-12)5-6-17-13/h3-4,7-8,15H,5-6,16H2,1-2H3.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl-(4,5-dimethylthiophen-2-yl)methanamine?
2,3-dihydro-1-benzofuran-5-yl-(4,5-dimethylthiophen-2-yl)methanamine has a molecular weight of 259.37 g/mol, XLogP of 3.35, 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-benzofuran-5-yl-(4,5-dimethylthiophen-2-yl)methanamine is sourced from PubChem (CID 65237495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).