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875147-81-2 | Phenol, 3-[[[5-(3,4-dimethoxyphenyl)-3-pyridinyl]amino]methyl]-
CAS No: 875147-81-2 Catalog No: AG004HJR MDL No:
Product Description
Catalog Number:
AG004HJR
Chemical Name:
Phenol, 3-[[[5-(3,4-dimethoxyphenyl)-3-pyridinyl]amino]methyl]-
CAS Number:
875147-81-2
Molecular Formula:
C20H20N2O3
Molecular Weight:
336.3844
IUPAC Name:
3-[[[5-(3,4-dimethoxyphenyl)pyridin-3-yl]amino]methyl]phenol
InChI:
InChI=1S/C20H20N2O3/c1-24-19-7-6-15(10-20(19)25-2)16-9-17(13-21-12-16)22-11-14-4-3-5-18(23)8-14/h3-10,12-13,22-23H,11H2,1-2H3
InChI Key:
DPBDAHAUJJMQFZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OC)c1cncc(c1)NCc1cccc(c1)O
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.147g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
336.391g/mol
Monoisotopic Mass:
336.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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