2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)aniline

2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)aniline

CAS: 445465-72-5

Formula: C13H17F3N2

SMILES: CC1CCN(CC1)C1=CC=C(C=C1N)C(F)(F)F

IUPAC: 2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)aniline

InChI: InChI=1S/C13H17F3N2/c1-9-4-6-18(7-5-9)12-3-2-10(8-11(12)17)13(14,15)16/h2-3,8-9H,4-7,17H2,1H3

Composition: C (60.45%), H (6.63%), F (22.07%), N (10.85%)

Molar Mass: 258.288

Atom Count: 35

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	258.134383044
Formal Charge	0
FSP3	0.54
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	KSTMIUZGZUTXPS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.85
Topological Polar Surface Area	29.26
Polarizability	23.97
Ring Count	2
Rotatable Bond Count	2

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