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918343-74-5 | 3-Pyridinamine, 2-[2-(1,1-dimethylethyl)phenoxy]-N-(phenylmethyl)-
CAS No: 918343-74-5 Catalog No: AG006G4E MDL No:
Product Description
Catalog Number:
AG006G4E
Chemical Name:
3-Pyridinamine, 2-[2-(1,1-dimethylethyl)phenoxy]-N-(phenylmethyl)-
CAS Number:
918343-74-5
Molecular Formula:
C22H24N2O
Molecular Weight:
332.4388
IUPAC Name:
N-benzyl-2-(2-tert-butylphenoxy)pyridin-3-amine
InChI:
InChI=1S/C22H24N2O/c1-22(2,3)18-12-7-8-14-20(18)25-21-19(13-9-15-23-21)24-16-17-10-5-4-6-11-17/h4-15,24H,16H2,1-3H3
InChI Key:
IKVRIKDXJYFBTB-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1Oc1ncccc1NCc1ccccc1)(C)C
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.189g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.447g/mol
Monoisotopic Mass:
332.189g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
34.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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