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102770-58-1 | 2-Propanol, 1-[(1,1-dimethylethyl)amino]-3-[2-(2-phenylethynyl)phenoxy]-
CAS No: 102770-58-1 Catalog No: AG0008BI MDL No:
Product Description
Catalog Number:
AG0008BI
Chemical Name:
2-Propanol, 1-[(1,1-dimethylethyl)amino]-3-[2-(2-phenylethynyl)phenoxy]-
CAS Number:
102770-58-1
Molecular Formula:
C21H25NO2
Molecular Weight:
323.4287
IUPAC Name:
1-(tert-butylamino)-3-[2-(2-phenylethynyl)phenoxy]propan-2-ol
InChI:
InChI=1S/C21H25NO2/c1-21(2,3)22-15-19(23)16-24-20-12-8-7-11-18(20)14-13-17-9-5-4-6-10-17/h4-12,19,22-23H,15-16H2,1-3H3
InChI Key:
JMAXVDBDYFOEFG-UHFFFAOYSA-N
SMILES:
OC(COc1ccccc1C#Cc1ccccc1)CNC(C)(C)C
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.189g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
323.436g/mol
Monoisotopic Mass:
323.189g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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