CC(C)NCC(C1=CC2=C(C=C1)OCO2)O.Cl
Nom: 1-(1,3-benzodioxol-5-yl)-2-(propan-2-ylamino)ethanol;hydrochloride
SMILES: CC(C)NCC(C1=CC2=C(C=C1)OCO2)O.Cl

Molecular Processing

Molecular formula
C12H18ClNO3
Molecular weight
259.73
Exact mass
259.0975
XLogP
1.87
TPSA
50.72
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.5
Molar refractivity
67.91

Supplementary Information

InChIKey: ZXZNCXBULYYGII-UHFFFAOYSA-N
Synonymes
CHEMBL3246736SCHEMBL11536539ZXZNCXBULYYGII-UHFFFAOYSA-N1 -(3,4-methylenedioxyphenyl)-2-isopropylaminoethanol hydrochloride1-(3,4-methylenedioxyphenyl)-2-isopropylaminoethanol hydrochloride
Voir la source →
Impliqué dans 3 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→