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2914-77-4

2914-77-4 structural image
Product Name: 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol
Formula: C16H25NO2
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1945

COMPUTED DESCRIPTORS

Molecular Weight 263.37 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 263.188529040 g/mol
Monoisotopic Mass 263.188529040 g/mol
Topological Polar Surface Area 32.7 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 282
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol is a tertiary alcohol that is cyclohexanol substituted at positions 1 and 2 by 3-methoxyphenyl and dimethylaminomethyl groups respectively. It is a tertiary amino compound, a tertiary alcohol and an aromatic ether. It is functionally related to a cyclohexanol.