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175590-76-8 | Benzenemethanol, α-[(1R)-2-(dimethylamino)-1-methylethyl]-α-ethyl-3-methoxy-, (αR)-rel-
CAS No: 175590-76-8 Catalog No: AG00211T MDL No:MFCD18207205
Product Description
Catalog Number:
AG00211T
Chemical Name:
Benzenemethanol, α-[(1R)-2-(dimethylamino)-1-methylethyl]-α-ethyl-3-methoxy-, (αR)-rel-
CAS Number:
175590-76-8
Molecular Formula:
C15H25NO2
Molecular Weight:
251.3645
MDL Number:
MFCD18207205
IUPAC Name:
(2R,3R)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol
InChI:
InChI=1S/C15H25NO2/c1-6-15(17,12(2)11-16(3)4)13-8-7-9-14(10-13)18-5/h7-10,12,17H,6,11H2,1-5H3/t12-,15-/m1/s1
InChI Key:
PZNRRUTVGXCKFC-IUODEOHRSA-N
SMILES:
CC[C@](c1cccc(c1)OC)([C@@H](CN(C)C)C)O
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
251.189g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.37g/mol
Monoisotopic Mass:
251.189g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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