methyl[(1S,2S)-2-(methylamino)-1,2-bis[3-(trifluoromethyl)phenyl]ethyl]amine

methyl[(1S,2S)-2-(methylamino)-1,2-bis[3-(trifluoromethyl)phenyl]ethyl]amine

CAS: 205873-26-3

Formula: C18H18F6N2

SMILES: CN[C@H]([C@@H](NC)C1=CC=CC(=C1)C(F)(F)F)C1=CC=CC(=C1)C(F)(F)F

IUPAC: methyl[(1S,2S)-2-(methylamino)-1,2-bis[3-(trifluoromethyl)phenyl]ethyl]amine

InChI: InChI=1S/C18H18F6N2/c1-25-15(11-5-3-7-13(9-11)17(19,20)21)16(26-2)12-6-4-8-14(10-12)18(22,23)24/h3-10,15-16,25-26H,1-2H3/t15-,16-/m0/s1

Composition: C (57.45%), H (4.82%), F (30.29%), N (7.44%)

Molar Mass: 376.346

Atom Count: 44

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	376.137417566
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	SBGOGHODWUZHIY-HOTGVXAUSA-N
Lipinski's Rule of Five	1
Molar Refractivity	87.93
Topological Polar Surface Area	24.06
Polarizability	32.5
Ring Count	2
Rotatable Bond Count	7

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