2-(benzylamino)-1-[(2S)-6-fluoro-2H-chromen-2-yl]ethanol

C18H18FNO2 — CID 141395158

IUPAC2-(benzylamino)-1-[(2S)-6-fluoro-2H-chromen-2-yl]ethanol
SMILESOC(CNCc1ccccc1)[C@@H]1C=Cc2cc(F)ccc2O1
InChIInChI=1S/C18H18FNO2/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/h1-10,16,18,20-21H,11-12H2/t16?,18-/m0/s1
InChIKeyROPIQOVAAYKOCX-DAFXYXGESA-N
MW299.34 g/mol
LogP2.75
Rot. Bonds5

About 2-(benzylamino)-1-[(2S)-6-fluoro-2H-chromen-2-yl]ethanol

2-(benzylamino)-1-[(2S)-6-fluoro-2H-chromen-2-yl]ethanol (PubChem CID 141395158) has the molecular formula C18H18FNO2 and a molecular weight of 299.34 g/mol. Its IUPAC name is 2-(benzylamino)-1-[(2S)-6-fluoro-2H-chromen-2-yl]ethanol.

Molecular Properties

Compound Name2-(benzylamino)-1-[(2S)-6-fluoro-2H-chromen-2-yl]ethanol
PubChem CID141395158
Molecular FormulaC18H18FNO2
Molecular Weight299.34 g/mol
Exact Mass299.13
IUPAC Name2-(benzylamino)-1-[(2S)-6-fluoro-2H-chromen-2-yl]ethanol
SMILESOC(CNCc1ccccc1)[C@@H]1C=Cc2cc(F)ccc2O1
InChIInChI=1S/C18H18FNO2/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/h1-10,16,18,20-21H,11-12H2/t16?,18-/m0/s1
InChIKeyROPIQOVAAYKOCX-DAFXYXGESA-N
XLogP2.75
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2-(benzylamino)-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol
CID 67337423
(2R)-2-[(1R)-2-(benzylamino)-1-hydroxyethyl]-6-fluoro-2,3-dihydrochromen-4-one
CID 10041383
(2S)-2-(diethylamino)-2-(6-fluoro-2H-chromen-2-yl)ethanol
CID 173416168
3-(benzylamino)-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)propan-1-ol
CID 166798745
N-benzyl-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine
CID 54200485
(1R)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol
CID 6926807
2-(benzylamino)-1-cyclohexylethanol
CID 14342015
2-[(1R)-2-(benzylamino)-1-hydroxyethyl]-6-methyl-2,3-dihydrochromen-4-one
CID 142891560
(2S)-3-(benzylamino)-1,1,1-trichloropropan-2-ol
CID 131850472
2-[[2-(3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol
CID 58409721
N-benzyl-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 146132730
(1S)-2-(benzylamino)-1-(4-fluoro-2-methoxyphenyl)ethanol
CID 72725320

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-1-[(2S)-6-fluoro-2H-chromen-2-yl]ethanol?
The IUPAC name of 2-(benzylamino)-1-[(2S)-6-fluoro-2H-chromen-2-yl]ethanol (CID 141395158) is 2-(benzylamino)-1-[(2S)-6-fluoro-2H-chromen-2-yl]ethanol.
What is the SMILES notation for 2-(benzylamino)-1-[(2S)-6-fluoro-2H-chromen-2-yl]ethanol?
The canonical SMILES for 2-(benzylamino)-1-[(2S)-6-fluoro-2H-chromen-2-yl]ethanol is OC(CNCc1ccccc1)[C@@H]1C=Cc2cc(F)ccc2O1.
What is the InChIKey of 2-(benzylamino)-1-[(2S)-6-fluoro-2H-chromen-2-yl]ethanol?
The InChIKey is ROPIQOVAAYKOCX-DAFXYXGESA-N. The full InChI is InChI=1S/C18H18FNO2/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/h1-10,16,18,20-21H,11-12H2/t16?,18-/m0/s1.
What are the key properties of 2-(benzylamino)-1-[(2S)-6-fluoro-2H-chromen-2-yl]ethanol?
2-(benzylamino)-1-[(2S)-6-fluoro-2H-chromen-2-yl]ethanol has a molecular weight of 299.34 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-1-[(2S)-6-fluoro-2H-chromen-2-yl]ethanol is sourced from PubChem (CID 141395158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).