Home Other Building Blocks [(5-methylthiophen-2-yl)methyl](2-phenylethyl)amine

[(5-methylthiophen-2-yl)methyl](2-phenylethyl)amine

CAS No.:
854357-52-1
Catalog Number:
AG019OCJ
Molecular Formula:
C14H17NS
Molecular Weight:
231.3565
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Product Description
Catalog Number:
AG019OCJ
Chemical Name:
[(5-methylthiophen-2-yl)methyl](2-phenylethyl)amine
CAS Number:
854357-52-1
Molecular Formula:
C14H17NS
Molecular Weight:
231.3565
MDL Number:
MFCD04580393
IUPAC Name:
N-[(5-methylthiophen-2-yl)methyl]-2-phenylethanamine
InChI:
InChI=1S/C14H17NS/c1-12-7-8-14(16-12)11-15-10-9-13-5-3-2-4-6-13/h2-8,15H,9-11H2,1H3
InChI Key:
VJGBGYXZJYJOSL-UHFFFAOYSA-N
SMILES:
Cc1ccc(s1)CNCCc1ccccc1
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.108g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
231.357g/mol
Monoisotopic Mass:
231.108g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
40.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties