Home Aminos 2-{[2-(3-fluorophenyl)-2-hydroxyethyl]amino}-2-methylpropan-1-ol

2-{[2-(3-fluorophenyl)-2-hydroxyethyl]amino}-2-methylpropan-1-ol

CAS No.:
1179948-01-6
Catalog Number:
AG01B5IF
Molecular Formula:
C12H18FNO2
Molecular Weight:
227.2752
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Product Description
Catalog Number:
AG01B5IF
Chemical Name:
2-{[2-(3-fluorophenyl)-2-hydroxyethyl]amino}-2-methylpropan-1-ol
CAS Number:
1179948-01-6
Molecular Formula:
C12H18FNO2
Molecular Weight:
227.2752
MDL Number:
MFCD12812830
IUPAC Name:
2-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol
InChI:
InChI=1S/C12H18FNO2/c1-12(2,8-15)14-7-11(16)9-4-3-5-10(13)6-9/h3-6,11,14-16H,7-8H2,1-2H3
InChI Key:
KDZZWZVDEDMULO-UHFFFAOYSA-N
SMILES:
OCC(NCC(c1cccc(c1)F)O)(C)C
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.132g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
227.279g/mol
Monoisotopic Mass:
227.132g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties