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2D Structure
Also known as: Schembl2555127, Dtxsid601135464, 99199-91-4, Ft-0662681
Molecular Formula
C18H20FNO2
Molecular Weight
301.4  g/mol
InChI Key
UWHPUMRASBVSQY-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(benzylamino)-1-(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
2.1.3 InChI Key
UWHPUMRASBVSQY-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CC2=C(C=CC(=C2)F)OC1C(CNCC3=CC=CC=C3)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Schembl2555127

2. Dtxsid601135464

3. 99199-91-4

4. Ft-0662681

2.3 Create Date
2006-10-26
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 Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1