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189139-14-8 | Phenol, 2-(1,1-dimethylethyl)-6-[[(2-pyridinylmethyl)amino]methyl]-
CAS No: 189139-14-8 Catalog No: AG002HX9 MDL No:
Product Description
Catalog Number:
AG002HX9
Chemical Name:
Phenol, 2-(1,1-dimethylethyl)-6-[[(2-pyridinylmethyl)amino]methyl]-
CAS Number:
189139-14-8
Molecular Formula:
C17H22N2O
Molecular Weight:
270.3694
IUPAC Name:
2-tert-butyl-6-[(pyridin-2-ylmethylamino)methyl]phenol
InChI:
InChI=1S/C17H22N2O/c1-17(2,3)15-9-6-7-13(16(15)20)11-18-12-14-8-4-5-10-19-14/h4-10,18,20H,11-12H2,1-3H3
InChI Key:
FFGPHIQNMFDPPT-UHFFFAOYSA-N
SMILES:
Oc1c(CNCc2ccccn2)cccc1C(C)(C)C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.173g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.376g/mol
Monoisotopic Mass:
270.173g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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