Home Other Building Blocks 3-[(2-phenylethoxy)methyl]aniline

3-[(2-phenylethoxy)methyl]aniline

CAS No.:
1039862-68-4
Catalog Number:
AG019XUT
Molecular Formula:
C15H17NO
Molecular Weight:
227.3016
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Product Description
Catalog Number:
AG019XUT
Chemical Name:
3-[(2-phenylethoxy)methyl]aniline
CAS Number:
1039862-68-4
Molecular Formula:
C15H17NO
Molecular Weight:
227.3016
MDL Number:
MFCD11196403
IUPAC Name:
3-(2-phenylethoxymethyl)aniline
InChI:
InChI=1S/C15H17NO/c16-15-8-4-7-14(11-15)12-17-10-9-13-5-2-1-3-6-13/h1-8,11H,9-10,12,16H2
InChI Key:
ZEYCXHQIDKKZBW-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)COCCc1ccccc1
Properties
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.131g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
227.307g/mol
Monoisotopic Mass:
227.131g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties