Home Other Building Blocks rac-(3R,4S)-1-benzyl-4-(4-methoxyphenyl)pyrrolidin-3-amine, trans

rac-(3R,4S)-1-benzyl-4-(4-methoxyphenyl)pyrrolidin-3-amine, trans

CAS No.:
1574397-06-0
Catalog Number:
AG01BXUA
Molecular Formula:
C18H22N2O
Molecular Weight:
282.3801
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Product Description
Catalog Number:
AG01BXUA
Chemical Name:
rac-(3R,4S)-1-benzyl-4-(4-methoxyphenyl)pyrrolidin-3-amine, trans
CAS Number:
1574397-06-0
Molecular Formula:
C18H22N2O
Molecular Weight:
282.3801
MDL Number:
MFCD30488036
IUPAC Name:
(3S,4R)-1-benzyl-4-(4-methoxyphenyl)pyrrolidin-3-amine
InChI:
InChI=1S/C18H22N2O/c1-21-16-9-7-15(8-10-16)17-12-20(13-18(17)19)11-14-5-3-2-4-6-14/h2-10,17-18H,11-13,19H2,1H3/t17-,18+/m0/s1
InChI Key:
YKRVJJLOBWHORJ-ZWKOTPCHSA-N
SMILES:
COc1ccc(cc1)[C@@H]1CN(C[C@H]1N)Cc1ccccc1
Properties
Complexity:
308  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
282.173g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
282.387g/mol
Monoisotopic Mass:
282.173g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
38.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties