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CID 44282056

PubChem CID
44282056
Structure
CID 44282056_small.png
Molecular Formula
Status
Non-live
Molecular Weight
286.8 g/mol
Dates
  • Create:
    2009-11-19

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 44282056.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(4-phenylphenyl)cyclohexan-1-amine;chloride

2.1.2 InChI

InChI=1S/C18H21N.ClH/c19-18(13-5-2-6-14-18)17-11-9-16(10-12-17)15-7-3-1-4-8-15;/h1,3-4,7-12H,2,5-6,13-14,19H2;1H/p-1

2.1.3 InChIKey

VUDYIHDFXMNDSG-UHFFFAOYSA-M

2.1.4 SMILES

C1CCC(CC1)(C2=CC=C(C=C2)C3=CC=CC=C3)N.[Cl-]

2.2 Molecular Formula

C18H21ClN-

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
286.8 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
286.1362524 g/mol
Property Name
Monoisotopic Mass
Property Value
286.1362524 g/mol
Property Name
Topological Polar Surface Area
Property Value
26 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
265
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
2
Property Name
Compound Is Canonicalized
Property Value
Yes

5 Information Sources

CONTENTS