C1=CC=C(C=C1)CC2=CN=C3C(=C2C4=CC(=CC=C4)N)C=CC=C3C(F)(F)F
Name: 3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]aniline
SMILES: C1=CC=C(C=C1)CC2=CN=C3C(=C2C4=CC(=CC=C4)N)C=CC=C3C(F)(F)F

Molecular Processing

Molecular formula
C23H17F3N2
Molecular weight
378.4
Exact mass
378.1344
XLogP
6.09
TPSA
38.91
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
28
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.087
Molar refractivity
105.84

Supplementary Information

InChIKey: BFUNVDZECPFRBY-UHFFFAOYSA-N
Synonyme
3-(3-benzyl-8-trifluoromethyl-quinolin-4-yl)-phenylamine[3-(3-Benzyl-8-(trifluoromethyl)quinolin-4-yl]phenyl}amine{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenyl}amineSCHEMBL1124687
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