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102120-95-6 | 5-Methoxy-N-(2-(thiophen-2-yl)ethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CAS No: 102120-95-6 Catalog No: AG0006OK MDL No:MFCD11042286
Product Description
Catalog Number:
AG0006OK
Chemical Name:
5-Methoxy-N-(2-(thiophen-2-yl)ethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CAS Number:
102120-95-6
Molecular Formula:
C17H21NOS
Molecular Weight:
287.4197
MDL Number:
MFCD11042286
IUPAC Name:
5-methoxy-N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
InChI:
InChI=1S/C17H21NOS/c1-19-17-6-2-4-13-12-14(7-8-16(13)17)18-10-9-15-5-3-11-20-15/h2-6,11,14,18H,7-10,12H2,1H3
InChI Key:
YZGRIGRHOOHRTP-UHFFFAOYSA-N
SMILES:
COc1cccc2c1CCC(C2)NCCc1cccs1
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.134g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.421g/mol
Monoisotopic Mass:
287.134g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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