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156755-27-0 | Benzenepropanamine, 5-bromo-N,N-bis(1-methylethyl)-γ-phenyl-2-(phenylmethoxy)-
CAS No: 156755-27-0 Catalog No: AG001OYD MDL No:MFCD16038973
Product Description
Catalog Number:
AG001OYD
Chemical Name:
Benzenepropanamine, 5-bromo-N,N-bis(1-methylethyl)-γ-phenyl-2-(phenylmethoxy)-
CAS Number:
156755-27-0
Molecular Formula:
C28H34BrNO
Molecular Weight:
480.4797
MDL Number:
MFCD16038973
IUPAC Name:
3-(5-bromo-2-phenylmethoxyphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine
InChI:
InChI=1S/C28H34BrNO/c1-21(2)30(22(3)4)18-17-26(24-13-9-6-10-14-24)27-19-25(29)15-16-28(27)31-20-23-11-7-5-8-12-23/h5-16,19,21-22,26H,17-18,20H2,1-4H3
InChI Key:
UCYJWCSOSZIQLQ-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)C(c1ccccc1)CCN(C(C)C)C(C)C)OCc1ccccc1
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
479.182g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
480.49g/mol
Monoisotopic Mass:
479.182g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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