(1S,4S)-7-(Chloromethyl)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine - CAS 291306-37-1

Catalog:	BB069965
Product Name:	(1S,4S)-7-(Chloromethyl)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine
CAS:	291306-37-1
Synonyms:	(1S,4S)-7-(Chloromethyl)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine

Technical Data

IUPAC Name:	(1S,4S)-7-(chloromethyl)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
Description:	(1S,4S)-7-(Chloromethyl)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine is a reactant in the preparation of 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenamines for treatment of disorders involving regulation of monoamine transporter function.
Molecular Weight:	354.7
Molecular Formula:	C18H18Cl3N
Canonical SMILES:	CNC1CCC(C2=C1C=C(C=C2)CCl)C3=CC(=C(C=C3)Cl)Cl
InChI:	InChI=1S/C18H18Cl3N/c1-22-18-7-5-13(12-3-6-16(20)17(21)9-12)14-4-2-11(10-19)8-15(14)18/h2-4,6,8-9,13,18,22H,5,7,10H2,1H3/t13-,18-/m0/s1
InChI Key:	JFSWRCWZSVSDGE-UGSOOPFHSA-N
References:	Middleton, Donald S., et al. Pfizer Inc., WO 2000051972 A1 20000908 (2000).

Complexity:	364
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	353.050483
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	353.050483
Rotatable Bond Count:	3
Topological Polar Surface Area:	12Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.2