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626216-03-3 | [1-(4-Methoxy-phenyl)-ethyl]-thiophen-2-ylmethyl-amine
CAS No: 626216-03-3 Catalog No: AG01F83M MDL No:
Product Description
Catalog Number:
AG01F83M
Chemical Name:
[1-(4-Methoxy-phenyl)-ethyl]-thiophen-2-ylmethyl-amine
CAS Number:
626216-03-3
Molecular Formula:
C14H17NOS
Molecular Weight:
247.3559
IUPAC Name:
1-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine
InChI:
InChI=1S/C14H17NOS/c1-11(15-10-14-4-3-9-17-14)12-5-7-13(16-2)8-6-12/h3-9,11,15H,10H2,1-2H3
InChI Key:
KDTOMHLXNQRXGH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(NCc1cccs1)C
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.103g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.356g/mol
Monoisotopic Mass:
247.103g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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