CCC1CN(CCC2=C1C=C(C=C2)C(F)(F)F)C
Name: 5-ethyl-3-methyl-7-(trifluoromethyl)-1,2,4,5-tetrahydro-3-benzazepine
SMILES: CCC1CN(CCC2=C1C=C(C=C2)C(F)(F)F)C

Molecular Processing

Molecular formula
C14H18F3N
Molecular weight
257.3
Exact mass
257.1391
XLogP
3.69
TPSA
3.24
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
65.68

Supplementary Information

InChIKey: BUYJCXNVIOLELP-UHFFFAOYSA-N
Synonyme
N-methyl-8-Trifluoromethyl-1-ethyl-2,3,4,5-tetrahydro-1H-3-benzazepineSCHEMBL2201263
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