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29122-56-3 | Benzeneethanamine, 5-chloro-2-ethoxy-N,N-bis(1-methylethyl)-β-(1-methylpropyl)-
CAS No: 29122-56-3 Catalog No: AG002XDO MDL No:
Product Description
Catalog Number:
AG002XDO
Chemical Name:
Benzeneethanamine, 5-chloro-2-ethoxy-N,N-bis(1-methylethyl)-β-(1-methylpropyl)-
CAS Number:
29122-56-3
Molecular Formula:
C20H34ClNO
Molecular Weight:
339.9431
IUPAC Name:
2-(5-chloro-2-ethoxyphenyl)-3-methyl-N,N-di(propan-2-yl)pentan-1-amine
InChI:
InChI=1S/C20H34ClNO/c1-8-16(7)19(13-22(14(3)4)15(5)6)18-12-17(21)10-11-20(18)23-9-2/h10-12,14-16,19H,8-9,13H2,1-7H3
InChI Key:
QCFXUDLFIPHQPV-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1C(C(CC)C)CN(C(C)C)C(C)C)Cl
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.233g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.948g/mol
Monoisotopic Mass:
339.233g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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