((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

Technical Data

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:	35.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4