Name: methyl 4-[[methyl(pyrrolidin-2-ylmethyl)amino]methyl]benzoate;hydrochloride
SMILES:
COC(=O)c1ccc(CN(C)CC2CCCN2)cc1.ClMolecular Processing
Molecular formula
C15H23ClN2O2
Molecular weight
298.81
Exact mass
298.1448
XLogP
2.08
TPSA
41.57
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.533
Molar refractivity
82.39
Supplementary Information
InChIKey: AUWDFSAEXNRQOW-UHFFFAOYSA-N
Synonyme
SCHEMBL3039132AUWDFSAEXNRQOW-UHFFFAOYSA-Nmethyl 4-[[methyl(2-pyrrolidinylmethyl)amino]methyl]benzoate hydrochloride salt
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