Name: (5)-1-(4-bromophenyl)-N-(2-(2-isopropyl-1,3-dioxolan-2-yl)ethyl)ethanamine
SMILES:
CC(C)C1(CCN[C@@H](C)c2ccc(Br)cc2)OCCO1Molecular Processing
Molecular formula
C16H24BrNO2
Molecular weight
342.28
Exact mass
341.099
XLogP
3.89
TPSA
30.49
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
84.65
Supplementary Information
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