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Chemistry

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Also known as: 53731-36-5, 4-[2-(3,5-diethoxyphenoxy)ethyl]morpholine, Lhx2b2r19f, 4-(2-(3,5-diethoxyphenoxy)ethyl)morpholine, Floredil [inn:dcf], Unii-lhx2b2r19f

Molecular Formula

C₁₆H₂₅NO₄

Molecular Weight

295.37 g/mol

InChI Key

MXVLJFCCQMXEEE-UHFFFAOYSA-N

FDA UNII

LHX2B2R19F

1 2D Structure

Floredil

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[2-(3,5-diethoxyphenoxy)ethyl]morpholine

2.1.2 InChI

InChI=1S/C16H25NO4/c1-3-19-14-11-15(20-4-2)13-16(12-14)21-10-7-17-5-8-18-9-6-17/h11-13H,3-10H2,1-2H3

2.1.3 InChI Key

MXVLJFCCQMXEEE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC1=CC(=CC(=C1)OCCN2CCOCC2)OCC

2.2 Other Identifiers

2.2.1 UNII

LHX2B2R19F

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 53731-36-5

2. 4-[2-(3,5-diethoxyphenoxy)ethyl]morpholine

3. Lhx2b2r19f

4. 4-(2-(3,5-diethoxyphenoxy)ethyl)morpholine

5. Floredil [inn:dcf]

6. Unii-lhx2b2r19f

7. Floredil [inn]

8. Floredil [mi]

9. Schembl309848

10. Chembl2106361

11. Dtxsid10866356

12. Chebi:135240

13. Zinc31597118

14. Morpholine, 4-(2-(3,5-diethoxyphenoxy)ethyl)-

15. Q27282996

2.4 Create Date

2005-08-09

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₂₅NO₄
Molecular Weight	295.37 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	295.17835828 g/mol
Monoisotopic Mass	295.17835828 g/mol
Topological Polar Surface Area	40.2 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	257
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1