Home Aminos 4-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1-hydroxyethyl)phenol

4-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1-hydroxyethyl)phenol

CAS No.:
74513-62-5
Catalog Number:
AG005JO4
Molecular Formula:
C18H23NO4
Molecular Weight:
317.3795
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Product Description
Catalog Number:
AG005JO4
Chemical Name:
4-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1-hydroxyethyl)phenol
CAS Number:
74513-62-5
Molecular Formula:
C18H23NO4
Molecular Weight:
317.3795
MDL Number:
MFCD00866261
IUPAC Name:
(8S,13S,14S,17S)-17-[(2S)-2-hydroxypropanoyl]-13,17-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
InChI:
InChI=1S/C22H30O3/c1-13(23)20(25)22(3)11-9-19-18-6-4-14-12-15(24)5-7-16(14)17(18)8-10-21(19,22)2/h12-13,18-19,23H,4-11H2,1-3H3/t13-,18+,19-,21-,22+/m0/s1
InChI Key:
JUNDJWOLDSCTFK-MTZCLOFQSA-N
SMILES:
COc1cc(CCNCC(c2ccc(cc2)O)O)ccc1OC
UNII:
4658K0H08W
Properties
Complexity:
700  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
342.219g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
342.479g/mol
Monoisotopic Mass:
342.219g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
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