((1R,2R)-2-(2,3-Dihydrobenzofuran-4-yl)cyclopropyl)methanamine - CAS 1400898-49-8
Catalog: |
BB067784 |
Product Name: |
((1R,2R)-2-(2,3-Dihydrobenzofuran-4-yl)cyclopropyl)methanamine |
CAS: |
1400898-49-8 |
Synonyms: |
(1R,2R)-2-(2,3-Dihydro-4-benzofuranyl)cyclopropanemethanamine |
IUPAC Name: | [(1R,2R)-2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanamine |
Description: | ((1R,2R)-2-(2,3-Dihydrobenzofuran-4-yl)cyclopropyl)methanamine is an intermediate int he synthesis of Tasimelteon (T007740), a novel drug, used in the treatment of non-24 hour sleep-wake disorder. It helps to correct the circadian rhythm disorder often seen in patients who are visually impaired. |
Molecular Weight: | 189.25 |
Molecular Formula: | C12H15NO |
Canonical SMILES: | C1COC2=CC=CC(=C21)C3CC3CN |
InChI: | InChI=1S/C12H15NO/c13-7-8-6-11(8)9-2-1-3-12-10(9)4-5-14-12/h1-3,8,11H,4-7,13H2/t8-,11+/m0/s1 |
InChI Key: | FXYHNSKFBUUONP-GZMMTYOYSA-N |
References: | Lahon, J. et al. World. J. Pharm. Res., 3, 1521 (2014). |
Complexity: | 218 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.115364102 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.115364102 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 35.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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