(5-methyl-7-thiophen-2-yl-2,3-dihydro-1-benzofuran-2-yl)methanamine

C14H15NOS — CID 56707530

IUPAC(5-methyl-7-thiophen-2-yl-2,3-dihydro-1-benzofuran-2-yl)methanamine
SMILESCc1cc2c(c(-c3cccs3)c1)OC(CN)C2
InChIInChI=1S/C14H15NOS/c1-9-5-10-7-11(8-15)16-14(10)12(6-9)13-3-2-4-17-13/h2-6,11H,7-8,15H2,1H3
InChIKeyXIMRFKOFSGBVOQ-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.99
Rot. Bonds2

About (5-methyl-7-thiophen-2-yl-2,3-dihydro-1-benzofuran-2-yl)methanamine

(5-methyl-7-thiophen-2-yl-2,3-dihydro-1-benzofuran-2-yl)methanamine (PubChem CID 56707530) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is (5-methyl-7-thiophen-2-yl-2,3-dihydro-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(5-methyl-7-thiophen-2-yl-2,3-dihydro-1-benzofuran-2-yl)methanamine
PubChem CID56707530
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name(5-methyl-7-thiophen-2-yl-2,3-dihydro-1-benzofuran-2-yl)methanamine
SMILESCc1cc2c(c(-c3cccs3)c1)OC(CN)C2
InChIInChI=1S/C14H15NOS/c1-9-5-10-7-11(8-15)16-14(10)12(6-9)13-3-2-4-17-13/h2-6,11H,7-8,15H2,1H3
InChIKeyXIMRFKOFSGBVOQ-UHFFFAOYSA-N
XLogP2.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-5-methyl-7-thiophen-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95206107
[(2R)-5-methyl-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129395361
[(2R)-7-(2,6-dichlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129364398
[(2S)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 125178415
[7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 118759021
[7-(5-fluoropyrimidin-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 56721337
[(2S)-5-chloro-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129384142
[7-(1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 118760389
[7-(2,6-dimethylphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11448636
[(2R)-5-chloro-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129383339
[(2R)-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129383306
[7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11960767

Frequently Asked Questions

What is the IUPAC name of (5-methyl-7-thiophen-2-yl-2,3-dihydro-1-benzofuran-2-yl)methanamine?
The IUPAC name of (5-methyl-7-thiophen-2-yl-2,3-dihydro-1-benzofuran-2-yl)methanamine (CID 56707530) is (5-methyl-7-thiophen-2-yl-2,3-dihydro-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (5-methyl-7-thiophen-2-yl-2,3-dihydro-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (5-methyl-7-thiophen-2-yl-2,3-dihydro-1-benzofuran-2-yl)methanamine is Cc1cc2c(c(-c3cccs3)c1)OC(CN)C2.
What is the InChIKey of (5-methyl-7-thiophen-2-yl-2,3-dihydro-1-benzofuran-2-yl)methanamine?
The InChIKey is XIMRFKOFSGBVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-9-5-10-7-11(8-15)16-14(10)12(6-9)13-3-2-4-17-13/h2-6,11H,7-8,15H2,1H3.
What are the key properties of (5-methyl-7-thiophen-2-yl-2,3-dihydro-1-benzofuran-2-yl)methanamine?
(5-methyl-7-thiophen-2-yl-2,3-dihydro-1-benzofuran-2-yl)methanamine has a molecular weight of 245.35 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-7-thiophen-2-yl-2,3-dihydro-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 56707530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).