(αR)-5,6-Dihydro-α-methyl-N-[3-[3-(trifluoromethyl)phenyl]propyl]-1-naphthalenemethanamine - CAS 802918-36-1

Catalog:	BB067455
Product Name:	(αR)-5,6-Dihydro-α-methyl-N-[3-[3-(trifluoromethyl)phenyl]propyl]-1-naphthalenemethanamine
CAS:	802918-36-1
Synonyms:	(alphaR)-5,6-Dihydro-alpha-methyl-N-[3-[3-(trifluoromethyl)phenyl]propyl]-1-naphthalenemethanamine; N-[(1R)-1-(5,6-dihydronaphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine; (R)-N-(1-(5,6-dihydronaphthalen-1-yl)ethyl)-3-(3-(trifluoroMethyl)phenyl)propan-1-aMine; (alphaR)-alpha-Methyl-N-[3-[3-(trifluoromethyl)phenyl]propyl]-5,6-dihydronaphthalene-1-methanamine

Technical Data

IUPAC Name:	N-[(1R)-1-(5,6-dihydronaphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine
Description:	(αR)-5,6-Dihydro-α-methyl-N-[3-[3-(trifluoromethyl)phenyl]propyl]-1-naphthalenemethanamine is synthetically prepared though a double bond migration in Heck reaction during the preparation of cinacalcet congeners. This enantiomerically pure material is seperated from its counter part, (αR)-7,8-Dihydro-α-methyl-N-[3-[3-(trifluoromethyl)phenyl]propyl]-1-naphthalenemethanamine (D455330) using HPLC.
Molecular Weight:	359.43
Molecular Formula:	C22H24F3N
Canonical SMILES:	CC(C1=CC=CC2=C1C=CCC2)NCCCC3=CC(=CC=C3)C(F)(F)F
InChI:	InChI=1S/C22H24F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h3-5,7,10-13,15-16,26H,2,6,8-9,14H2,1H3/t16-/m1/s1
InChI Key:	CKVAPABQGMRCSS-MRXNPFEDSA-N
References:	Wang, X., et al. Tetrahedron Lett., 45, 8355 (2004).

Complexity:	459
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	359.18608426
Formal Charge:	0
Heavy Atom Count:	26
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	359.18608426
Rotatable Bond Count:	6
Topological Polar Surface Area:	12Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	6