Home Amines 116508-54-4
116508-54-4,MFCD05863901
Catalog No.:AA000CKA
116508-54-4 | (S)-Methyl-(2-phenyl-1-pyrrolidin-1-ylmethyl-ethyl)-amine
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Technical Information
Catalog Number:
AA000CKA
Chemical Name:
(S)-Methyl-(2-phenyl-1-pyrrolidin-1-ylmethyl-ethyl)-amine
CAS Number:
116508-54-4
Molecular Formula:
C14H22N2
Molecular Weight:
218.3379
MDL Number:
MFCD05863901
IUPAC Name:
(2S)-N-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-2-amine
InChI:
InChI=1S/C14H22N2/c1-15-14(12-16-9-5-6-10-16)11-13-7-3-2-4-8-13/h2-4,7-8,14-15H,5-6,9-12H2,1H3/t14-/m0/s1
InChI Key:
WDVNZOBYHPYZIT-AWEZNQCLSA-N
SMILES:
CN[C@@H](Cc1ccccc1)CN1CCCC1
Properties
Computed Properties
 
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
218.178g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.344g/mol
Monoisotopic Mass:
218.178g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

Synonyms
 
116508-54-4 
(S)-Methyl-(2-phenyl-1-pyrrolidin-1-ylmethyl-ethyl)-amine 
AB22689 
AJ-80728 
AS-41062 
AB0079644 
AX8036238 
DB-016887 
DB-060887 
FT-0774387 
A12829 
X-1667 
(S)-N-methyl-1-phenyl-3-(pyrrolidin-1-yl)propan-2-amine 
I14-11842 
(S)-methyl (2-phenyl-1-pyrrolidin-1-ylmethylethyl)amine 
(S)-Methyl-(2-phenyl-1-pyrrolidin-1-ylmethyl-ethyl)amine 
(2S)-N-Methyl-1-phenyl-3-(pyrrolidin-1-yl)propan-2-amine 
(S)-methyl-(2-phenyl-1-pyrrolidin-1-ylmethyl-ethyl)-amine, AldrichCPR 
1-Pyrrolidineethanamine, N-methyl-alpha-(phenylmethyl)-, (S)- (9CI) 
WDVNZOBYHPYZIT-AWEZNQCLSA-N 
43071-45-0 
1-Pyrrolidineethanamine,N-methyl-a-(phenylmethyl)-, (S)- (9CI) 
SCHEMBL9769074 
CTK4A9826 
DTXSID50595355 
MFCD05863901 
ZINC22028725 
AKOS015899719 
Literature
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