Home Other Building Blocks 2-[(3-methoxyphenyl)methyl]pyrrolidine

2-[(3-methoxyphenyl)methyl]pyrrolidine

CAS No.:
82589-41-1
Catalog Number:
AG019W4P
Molecular Formula:
C12H17NO
Molecular Weight:
191.2695
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Product Description
Catalog Number:
AG019W4P
Chemical Name:
2-[(3-methoxyphenyl)methyl]pyrrolidine
CAS Number:
82589-41-1
Molecular Formula:
C12H17NO
Molecular Weight:
191.2695
MDL Number:
MFCD02663483
IUPAC Name:
2-[(3-methoxyphenyl)methyl]pyrrolidine
InChI:
InChI=1S/C12H17NO/c1-14-12-6-2-4-10(9-12)8-11-5-3-7-13-11/h2,4,6,9,11,13H,3,5,7-8H2,1H3
InChI Key:
IYXHWZSBBUXBCD-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)CC1CCCN1
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.131g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
191.274g/mol
Monoisotopic Mass:
191.131g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties