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101-45-1 | Ethanol, 2-[(1-methyl-2-phenoxyethyl)(phenylmethyl)amino]-
CAS No: 101-45-1 Catalog No: AG0003FB MDL No:
Product Description
Catalog Number:
AG0003FB
Chemical Name:
Ethanol, 2-[(1-methyl-2-phenoxyethyl)(phenylmethyl)amino]-
CAS Number:
101-45-1
Molecular Formula:
C18H23NO2
Molecular Weight:
285.3807
IUPAC Name:
2-[benzyl(1-phenoxypropan-2-yl)amino]ethanol
InChI:
InChI=1S/C18H23NO2/c1-16(15-21-18-10-6-3-7-11-18)19(12-13-20)14-17-8-4-2-5-9-17/h2-11,16,20H,12-15H2,1H3
InChI Key:
LYNJRXJVOBYDCM-UHFFFAOYSA-N
SMILES:
OCCN(C(COc1ccccc1)C)Cc1ccccc1
EC Number:
202-944-0
Properties
Complexity:
260
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:
32.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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