Find (1S,2R)-2-(2-Benzylamino-1-Hydroxyethyl)-6-Fluorochromane manufacturers, exporters & distributors on PharmaCompass

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Chemistry

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Also known as: 129050-27-7, (1s)-2-(benzylamino)-1-[(2r)-6-fluoro-3,4-dihydro-2h-chromen-2-yl]ethanol, (1s)-2-(benzylamino)-1-((2r)-6-fluoro-3,4-dihydro-2h-chromen-2-yl)ethanol, Ec 603-316-2, Schembl2289517, Dtxsid30648373
Molecular Formula
C18H20FNO2
Molecular Weight
301.4  g/mol
InChI Key
UWHPUMRASBVSQY-FUHWJXTLSA-N

(1S,2R)-2-(2-Benzylamino-1-Hydroxyethyl)-6-Fluorochromane
1 2D Structure

(1S,2R)-2-(2-Benzylamino-1-Hydroxyethyl)-6-Fluorochromane

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(1S)-2-(benzylamino)-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol
2.1.2 InChI
InChI=1S/C18H20FNO2/c19-15-7-9-17-14(10-15)6-8-18(22-17)16(21)12-20-11-13-4-2-1-3-5-13/h1-5,7,9-10,16,18,20-21H,6,8,11-12H2/t16-,18+/m0/s1
2.1.3 InChI Key
UWHPUMRASBVSQY-FUHWJXTLSA-N
2.1.4 Canonical SMILES
C1CC2=C(C=CC(=C2)F)OC1C(CNCC3=CC=CC=C3)O
2.1.5 Isomeric SMILES
C1CC2=C(C=CC(=C2)F)O[C@H]1[C@H](CNCC3=CC=CC=C3)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 129050-27-7

2. (1s)-2-(benzylamino)-1-[(2r)-6-fluoro-3,4-dihydro-2h-chromen-2-yl]ethanol

3. (1s)-2-(benzylamino)-1-((2r)-6-fluoro-3,4-dihydro-2h-chromen-2-yl)ethanol

4. Ec 603-316-2

5. Schembl2289517

6. Dtxsid30648373

7. Zinc35787395

8. J-005645

9. (s)-2-benzylamino-1-((r)-6-fluoro-3,4-dihydro-2h-chromen-2-yl)-ethanol

10. (s)-2-benzylamino-1-((r)-6-fluoro-3,4-dihydro-2h-chronnen-2-yl)ethanol

11. 1s)-1-((2r)-6-fluoro-3,4-dihydro-2h-1-benzopyran-2-yl)-2-[(phenylmethyl)amino]ethanol

12. 2h-1-benzopyran-2-methanol, 6-fluoro-3,4-dihydro-alpha-[[(phenylmethyl)amino]methyl]-, (alphas,2r)-

2.3 Create Date
2008-10-27
3 Chemical and Physical Properties
Molecular Weight 301.4 g/mol
Molecular Formula C18H20FNO2
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass301.14780704 g/mol
Monoisotopic Mass301.14780704 g/mol
Topological Polar Surface Area41.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity335
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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