1-(3-(Benzyloxy)phenyl)-2-((dimethylamino)methyl)cyclohexanol - CAS 2914-85-4
Catalog: |
BB073577 |
Product Name: |
1-(3-(Benzyloxy)phenyl)-2-((dimethylamino)methyl)cyclohexanol |
CAS: |
2914-85-4 |
Synonyms: |
1-(m-Benzyloxyphenyl)-2-[(dimethylamino)methyl]-1-cyclohexanol; 2-[(Dimethylamino)methyl]-1-[3-(phenylmethoxy)phenyl]-cyclohexanol |
IUPAC Name: | 2-[(dimethylamino)methyl]-1-(3-phenylmethoxyphenyl)cyclohexan-1-ol |
Description: | 1-(3-(Benzyloxy)phenyl)-2-((dimethylamino)methyl)cyclohexanol has been used as a reactant in the preparation of pharmacologically active 1-(m-substituted phenyl)-2-aminomethylcyclohexanol. |
Molecular Weight: | 339.47 |
Molecular Formula: | C22H29NO2 |
Canonical SMILES: | CN(C)CC1CCCCC1(C2=CC(=CC=C2)OCC3=CC=CC=C3)O |
InChI: | InChI=1S/C22H29NO2/c1-23(2)16-20-11-6-7-14-22(20,24)19-12-8-13-21(15-19)25-17-18-9-4-3-5-10-18/h3-5,8-10,12-13,15,20,24H,6-7,11,14,16-17H2,1-2H3 |
InChI Key: | GJYNOCGHQSVLEY-UHFFFAOYSA-N |
Complexity: | 394 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 339.219829168 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 339.219829168 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 32.7Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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