Home Aminos 4-(Benzyloxy)-2-((dimethylamino)methyl)-1-(3-methoxyphenyl)cyclohexanol

4-(Benzyloxy)-2-((dimethylamino)methyl)-1-(3-methoxyphenyl)cyclohexanol

CAS No.:
413587-97-0
Catalog Number:
AG00I838
Molecular Formula:
C23H31NO3
Molecular Weight:
369.4971
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Product Description
Catalog Number:
AG00I838
Chemical Name:
4-(Benzyloxy)-2-((dimethylamino)methyl)-1-(3-methoxyphenyl)cyclohexanol
CAS Number:
413587-97-0
Molecular Formula:
C23H31NO3
Molecular Weight:
369.4971
MDL Number:
MFCD29056528
IUPAC Name:
2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-4-phenylmethoxycyclohexan-1-ol
InChI:
InChI=1S/C23H31NO3/c1-24(2)16-20-15-22(27-17-18-8-5-4-6-9-18)12-13-23(20,25)19-10-7-11-21(14-19)26-3/h4-11,14,20,22,25H,12-13,15-17H2,1-3H3
InChI Key:
YCASJHUVYASQDJ-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C1(O)CCC(CC1CN(C)C)OCc1ccccc1
Properties
Complexity:
437  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.23g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
369.505g/mol
Monoisotopic Mass:
369.23g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties