COC1=C(C=CC(=C1)CCN)OCCOC2=CC=C(C=C2)F
이름: 2-[4-[2-(4-fluorophenoxy)ethoxy]-3-methoxyphenyl]ethanamine
SMILES: COC1=C(C=CC(=C1)CCN)OCCOC2=CC=C(C=C2)F

Molecular Processing

Molecular formula
C17H20FNO3
Molecular weight
305.35
Exact mass
305.1427
XLogP
2.79
TPSA
53.71
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
83.14

Supplementary Information

InChIKey: PXAFTANAFPKIHY-UHFFFAOYSA-N
동의어
SCHEMBL6554804PXAFTANAFPKIHY-UHFFFAOYSA-N2-{4-[2-(4-Fluoro-phenoxy)-ethoxy]-3-methoxy-phenyl}-ethylamine
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