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101781-84-4 | Benzeneethanamine, N-[(3-ethoxy-4-methoxyphenyl)methyl]-
CAS No: 101781-84-4 Catalog No: AG0005KT MDL No:
Product Description
Catalog Number:
AG0005KT
Chemical Name:
Benzeneethanamine, N-[(3-ethoxy-4-methoxyphenyl)methyl]-
CAS Number:
101781-84-4
Molecular Formula:
C18H23NO2
Molecular Weight:
285.3807
IUPAC Name:
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-phenylethanamine
InChI:
InChI=1S/C18H23NO2/c1-3-21-18-13-16(9-10-17(18)20-2)14-19-12-11-15-7-5-4-6-8-15/h4-10,13,19H,3,11-12,14H2,1-2H3
InChI Key:
UBWMBZXSIBWFGW-UHFFFAOYSA-N
SMILES:
CCOc1cc(CNCCc2ccccc2)ccc1OC
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.173g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.387g/mol
Monoisotopic Mass:
285.173g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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