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1224048-15-0 | Benzenemethanamine, 4-[(4,4-dimethylcyclohexyl)oxy]-5-fluoro-2-methoxy-
CAS No: 1224048-15-0 Catalog No: AG001775 MDL No:
Product Description
Catalog Number:
AG001775
Chemical Name:
Benzenemethanamine, 4-[(4,4-dimethylcyclohexyl)oxy]-5-fluoro-2-methoxy-
CAS Number:
1224048-15-0
Molecular Formula:
C16H24FNO2
Molecular Weight:
281.3657
IUPAC Name:
[4-(4,4-dimethylcyclohexyl)oxy-5-fluoro-2-methoxyphenyl]methanamine
InChI:
InChI=1S/C16H24FNO2/c1-16(2)6-4-12(5-7-16)20-15-9-14(19-3)11(10-18)8-13(15)17/h8-9,12H,4-7,10,18H2,1-3H3
InChI Key:
BKIQGJQEBQFKFM-UHFFFAOYSA-N
SMILES:
NCc1cc(F)c(cc1OC)OC1CCC(CC1)(C)C
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.179g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.371g/mol
Monoisotopic Mass:
281.179g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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