CCNCC(C1=CC2=C(C=C1)OCO2)O.Cl
Name: 1-(1,3-benzodioxol-5-yl)-2-(ethylamino)ethanol;hydrochloride
SMILES: CCNCC(C1=CC2=C(C=C1)OCO2)O.Cl

Molecular Processing

Molecular formula
C11H16ClNO3
Molecular weight
245.71
Exact mass
245.0819
XLogP
1.48
TPSA
50.72
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
16
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
0.455
Molar refractivity
63.32

Supplementary Information

InChIKey: GNXHYJKVVOWTAW-UHFFFAOYSA-N
Synonyms
SCHEMBL11534096GNXHYJKVVOWTAW-UHFFFAOYSA-N1-(3,4-methylenedioxyphenyl)-2-ethylaminoethanol hydrochloride
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Involved in 2 reactions→

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