CC1COC(O1)CNC2=CC=CC=C2OC
الاسم: 2-methoxy-N-[(4-methyl-1,3-dioxolan-2-yl)methyl]aniline
SMILES: CC1COC(O1)CNC2=CC=CC=C2OC

Molecular Processing

Molecular formula
C12H17NO3
Molecular weight
223.27
Exact mass
223.1208
XLogP
1.87
TPSA
39.72
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
61.77

Supplementary Information

InChIKey: JHEYSHXOSVYIOK-UHFFFAOYSA-N
مرادفات
SCHEMBL11476945JHEYSHXOSVYIOK-UHFFFAOYSA-NN-(4-methyl-1,3-dioxolan-2-ylmethyl)-2-methoxyaniline
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