N1-[6-(morpholin-4-yl)-4-(trifluoromethyl)pyridin-2-yl]ethane-1,2-diamine

N1-[6-(morpholin-4-yl)-4-(trifluoromethyl)pyridin-2-yl]ethane-1,2-diamine

CAS: 1053659-51-0

Formula: C12H17F3N4O

SMILES: NCCNC1=CC(=CC(=N1)N1CCOCC1)C(F)(F)F

IUPAC: N1-[6-(morpholin-4-yl)-4-(trifluoromethyl)pyridin-2-yl]ethane-1,2-diamine

InChI: InChI=1S/C12H17F3N4O/c13-12(14,15)9-7-10(17-2-1-16)18-11(8-9)19-3-5-20-6-4-19/h7-8H,1-6,16H2,(H,17,18)

Composition: C (49.65%), H (5.90%), F (19.63%), N (19.30%), O (5.51%)

Molar Mass: 290.29

Atom Count: 37

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	290.135445672
Formal Charge	0
FSP3	0.58
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	FAJLXRNSBSTXCI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.15
Topological Polar Surface Area	63.41
Polarizability	25.44
Ring Count	2
Rotatable Bond Count	5

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