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1416351-99-9 | 2-Methoxy-4-(3-trifluoromethyl-piperidin-1-yl)aniline
CAS No: 1416351-99-9 Catalog No: AG01F8AE MDL No:MFCD21023835
Product Description
Catalog Number:
AG01F8AE
Chemical Name:
2-Methoxy-4-(3-trifluoromethyl-piperidin-1-yl)aniline
CAS Number:
1416351-99-9
Molecular Formula:
C13H17F3N2O
Molecular Weight:
274.2821
MDL Number:
MFCD21023835
IUPAC Name:
2-methoxy-4-[3-(trifluoromethyl)piperidin-1-yl]aniline
InChI:
InChI=1S/C13H17F3N2O/c1-19-12-7-10(4-5-11(12)17)18-6-2-3-9(8-18)13(14,15)16/h4-5,7,9H,2-3,6,8,17H2,1H3
InChI Key:
XWGVLBDFDVABDF-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1N)N1CCCC(C1)C(F)(F)F
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.129g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.287g/mol
Monoisotopic Mass:
274.129g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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