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

C13H13NOS — CID 171202497

IUPAC(S)-2,3-dihydro-1-benzofuran-5-yl(thiophen-2-yl)methanamine
SMILESN[C@@H](c1ccc2c(c1)CCO2)c1cccs1
InChIInChI=1S/C13H13NOS/c14-13(12-2-1-7-16-12)10-3-4-11-9(8-10)5-6-15-11/h1-4,7-8,13H,5-6,14H2/t13-/m0/s1
InChIKeyOGQLXTQRUZUFOZ-ZDUSSCGKSA-N
MW231.32 g/mol
LogP2.73
Rot. Bonds2

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

(S)-2,3-dihydro-1-benzofuran-5-yl(thiophen-2-yl)methanamine (PubChem CID 171202497) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is (S)-2,3-dihydro-1-benzofuran-5-yl(thiophen-2-yl)methanamine.

Molecular Properties

Compound Name(S)-2,3-dihydro-1-benzofuran-5-yl(thiophen-2-yl)methanamine
PubChem CID171202497
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name(S)-2,3-dihydro-1-benzofuran-5-yl(thiophen-2-yl)methanamine
SMILESN[C@@H](c1ccc2c(c1)CCO2)c1cccs1
InChIInChI=1S/C13H13NOS/c14-13(12-2-1-7-16-12)10-3-4-11-9(8-10)5-6-15-11/h1-4,7-8,13H,5-6,14H2/t13-/m0/s1
InChIKeyOGQLXTQRUZUFOZ-ZDUSSCGKSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 113425095
2,3-dihydro-1-benzofuran-5-yl(thieno[3,2-b]thiophen-5-yl)methanamine
CID 80733287
(5-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 43464388
2,3-dihydro-1,4-benzodioxin-6-yl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 43119103
(R)-2,3-dihydro-1-benzofuran-5-yl(thiophen-3-yl)methanamine
CID 171222054
2,3-dihydro-1-benzofuran-5-yl-(4,5-dimethylthiophen-2-yl)methanamine
CID 65237495
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanamine
CID 43198444
2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43198470
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-amine
CID 43198411
N-(dithiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43788589
2,3-dihydro-1-benzofuran-5-yl(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 105053322
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanamine
CID 43198478

Frequently Asked Questions

What is the IUPAC name of (S)-2,3-dihydro-1-benzofuran-5-yl(thiophen-2-yl)methanamine?
The IUPAC name of (S)-2,3-dihydro-1-benzofuran-5-yl(thiophen-2-yl)methanamine (CID 171202497) is (S)-2,3-dihydro-1-benzofuran-5-yl(thiophen-2-yl)methanamine.
What is the SMILES notation for (S)-2,3-dihydro-1-benzofuran-5-yl(thiophen-2-yl)methanamine?
The canonical SMILES for (S)-2,3-dihydro-1-benzofuran-5-yl(thiophen-2-yl)methanamine is N[C@@H](c1ccc2c(c1)CCO2)c1cccs1.
What is the InChIKey of (S)-2,3-dihydro-1-benzofuran-5-yl(thiophen-2-yl)methanamine?
The InChIKey is OGQLXTQRUZUFOZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H13NOS/c14-13(12-2-1-7-16-12)10-3-4-11-9(8-10)5-6-15-11/h1-4,7-8,13H,5-6,14H2/t13-/m0/s1.
What are the key properties of (S)-2,3-dihydro-1-benzofuran-5-yl(thiophen-2-yl)methanamine?
(S)-2,3-dihydro-1-benzofuran-5-yl(thiophen-2-yl)methanamine has a molecular weight of 231.32 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-2,3-dihydro-1-benzofuran-5-yl(thiophen-2-yl)methanamine is sourced from PubChem (CID 171202497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).