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27778-82-1 | Benzeneethanamine, 2-ethoxy-5-fluoro-N,N-dimethyl-β-(1-methylpropyl)-
CAS No: 27778-82-1 Catalog No: AG002UQ9 MDL No:
Product Description
Catalog Number:
AG002UQ9
Chemical Name:
Benzeneethanamine, 2-ethoxy-5-fluoro-N,N-dimethyl-β-(1-methylpropyl)-
CAS Number:
27778-82-1
Molecular Formula:
C16H26FNO
Molecular Weight:
267.3821
IUPAC Name:
2-(2-ethoxy-5-fluorophenyl)-N,N,3-trimethylpentan-1-amine
InChI:
InChI=1S/C16H26FNO/c1-6-12(3)15(11-18(4)5)14-10-13(17)8-9-16(14)19-7-2/h8-10,12,15H,6-7,11H2,1-5H3
InChI Key:
STXLVWICZNDMHD-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1C(C(CC)C)CN(C)C)F
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.2g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.388g/mol
Monoisotopic Mass:
267.2g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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