C1CC2=C(C=CC(=C2)OC3=CC=CC=C3N)OC1C4=CC=CC=C4
Name: 2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]aniline
SMILES: C1CC2=C(C=CC(=C2)OC3=CC=CC=C3N)OC1C4=CC=CC=C4

Molecular Processing

Molecular formula
C21H19NO2
Molecular weight
317.39
Exact mass
317.1416
XLogP
5.13
TPSA
44.48
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
24
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
95.5

Supplementary Information

InChIKey: JEJAHOQTSNXMCQ-UHFFFAOYSA-N
Synonyme
SCHEMBL4954845JEJAHOQTSNXMCQ-UHFFFAOYSA-N2-(2-Penylchroman-6-yloxy)-aniline2-(2-Phenylchroman-6-yloxy)-aniline2-(2-phenylchroman-6yloxy)-phenylamine
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