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864425-86-5

864425-86-5 | (2,4-DIMETHOXYBENZYL)[2-(2-FLUOROPHENYL)ETHYL]AMINE

CAS No: 864425-86-5 Catalog No: AG004XAD MDL No:

Product Description

Catalog Number:
AG004XAD
Chemical Name:
(2,4-DIMETHOXYBENZYL)[2-(2-FLUOROPHENYL)ETHYL]AMINE
CAS Number:
864425-86-5
Molecular Formula:
C17H20FNO2
Molecular Weight:
289.3446
IUPAC Name:
N-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine
InChI:
InChI=1S/C17H20FNO2/c1-20-15-8-7-14(17(11-15)21-2)12-19-10-9-13-5-3-4-6-16(13)18/h3-8,11,19H,9-10,12H2,1-2H3
InChI Key:
BDIVPIAMPKWPBO-UHFFFAOYSA-N
SMILES:
COc1cc(OC)ccc1CNCCc1ccccc1F

Properties

Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.148g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
289.35g/mol
Monoisotopic Mass:
289.148g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

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