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CID 28305596

PubChem CID
28305596
Structure
CID 28305596_small.png
Molecular Formula
Status
Non-live
Molecular Weight
265.37 g/mol
Dates
  • Create:
    2009-05-28

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 28305596.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3-methoxyphenyl)methyl-(3-morpholin-4-ylpropyl)azanium

2.1.2 InChI

InChI=1S/C15H24N2O2/c1-18-15-5-2-4-14(12-15)13-16-6-3-7-17-8-10-19-11-9-17/h2,4-5,12,16H,3,6-11,13H2,1H3/p+1

2.1.3 InChIKey

MJDPYPBTAKZGRD-UHFFFAOYSA-O

2.1.4 SMILES

COC1=CC=CC(=C1)C[NH2+]CCCN2CCOCC2

2.2 Molecular Formula

C15H25N2O2+

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
265.37 g/mol
Property Name
XLogP3-AA
Property Value
1.3
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
265.191603044 g/mol
Property Name
Monoisotopic Mass
Property Value
265.191603044 g/mol
Property Name
Topological Polar Surface Area
Property Value
38.3 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
232
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
1
Property Name
Compound Is Canonicalized
Property Value
Yes

5 Information Sources

CONTENTS