C1C2CC3CC1CC(C2)(C3)OC4=CC=C(C=C4)N
Nom: 4-(1-adamantyloxy)aniline
SMILES: C1C2CC3CC1CC(C2)(C3)OC4=CC=C(C=C4)N

Molecular Processing

Molecular formula
C16H21NO
Molecular weight
243.35
Exact mass
243.1623
XLogP
3.62
TPSA
35.25
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
18
Rings
5
Aromatic rings
1
Saturated rings
4
Aliphatic rings
4
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
72.39

Supplementary Information

InChIKey: HHAMGUKELAASPP-UHFFFAOYSA-N
Synonymes
4-(1-adamantyloxy)anilineRefChem:912016p-(1-adamantyloxy)anilinep-(1-adamantyloxy)-aniline4-(1-adamantyloxy)-anilineSCHEMBL5672682CHEMBL3228496HHAMGUKELAASPP-UHFFFAOYSA-NAKOS004120733
Voir la source →
Impliqué dans 8 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→