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

C13H13NOS — CID 171222054

IUPAC(R)-2,3-dihydro-1-benzofuran-5-yl(thiophen-3-yl)methanamine
SMILESN[C@@H](c1ccsc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H13NOS/c14-13(11-4-6-16-8-11)10-1-2-12-9(7-10)3-5-15-12/h1-2,4,6-8,13H,3,5,14H2/t13-/m1/s1
InChIKeyFLSQPGFFSUYWHI-CYBMUJFWSA-N
MW231.32 g/mol
LogP2.73
Rot. Bonds2

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

(R)-2,3-dihydro-1-benzofuran-5-yl(thiophen-3-yl)methanamine (PubChem CID 171222054) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is (R)-2,3-dihydro-1-benzofuran-5-yl(thiophen-3-yl)methanamine.

Molecular Properties

Compound Name(R)-2,3-dihydro-1-benzofuran-5-yl(thiophen-3-yl)methanamine
PubChem CID171222054
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name(R)-2,3-dihydro-1-benzofuran-5-yl(thiophen-3-yl)methanamine
SMILESN[C@@H](c1ccsc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H13NOS/c14-13(11-4-6-16-8-11)10-1-2-12-9(7-10)3-5-15-12/h1-2,4,6-8,13H,3,5,14H2/t13-/m1/s1
InChIKeyFLSQPGFFSUYWHI-CYBMUJFWSA-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

2,3-dihydro-1,4-benzodioxin-6-yl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 43119103
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-thiophen-3-ylethyl)ethanamine
CID 62842384
(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
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanamine
CID 43198444
(S)-2,3-dihydro-1-benzofuran-5-yl(thiophen-2-yl)methanamine
CID 171202497
6-[bromo(thiophen-3-yl)methyl]-3,4-dihydro-2H-chromene
CID 61098210
[4-(aminomethyl)phenyl]-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 116937080
6-[chloro(thiophen-3-yl)methyl]-3,4-dihydro-2H-chromene
CID 61084871
2,3-dihydro-1-benzofuran-5-yl(quinoxalin-6-yl)methanamine
CID 115604905
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-amine;hydrochloride
CID 86263152
(5-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 43464388

Frequently Asked Questions

What is the IUPAC name of (R)-2,3-dihydro-1-benzofuran-5-yl(thiophen-3-yl)methanamine?
The IUPAC name of (R)-2,3-dihydro-1-benzofuran-5-yl(thiophen-3-yl)methanamine (CID 171222054) is (R)-2,3-dihydro-1-benzofuran-5-yl(thiophen-3-yl)methanamine.
What is the SMILES notation for (R)-2,3-dihydro-1-benzofuran-5-yl(thiophen-3-yl)methanamine?
The canonical SMILES for (R)-2,3-dihydro-1-benzofuran-5-yl(thiophen-3-yl)methanamine is N[C@@H](c1ccsc1)c1ccc2c(c1)CCO2.
What is the InChIKey of (R)-2,3-dihydro-1-benzofuran-5-yl(thiophen-3-yl)methanamine?
The InChIKey is FLSQPGFFSUYWHI-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H13NOS/c14-13(11-4-6-16-8-11)10-1-2-12-9(7-10)3-5-15-12/h1-2,4,6-8,13H,3,5,14H2/t13-/m1/s1.
What are the key properties of (R)-2,3-dihydro-1-benzofuran-5-yl(thiophen-3-yl)methanamine?
(R)-2,3-dihydro-1-benzofuran-5-yl(thiophen-3-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 (R)-2,3-dihydro-1-benzofuran-5-yl(thiophen-3-yl)methanamine is sourced from PubChem (CID 171222054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).