2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-1-(2-fluorophenyl)ethanol

C14H18FNO2 — CID 111778224

IUPAC2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-1-(2-fluorophenyl)ethanol
SMILESOC(CNCC1=CCCOC1)c1ccccc1F
InChIInChI=1S/C14H18FNO2/c15-13-6-2-1-5-12(13)14(17)9-16-8-11-4-3-7-18-10-11/h1-2,4-6,14,16-17H,3,7-10H2
InChIKeyRCJVZECADJEFKH-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.80
Rot. Bonds5

About 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-1-(2-fluorophenyl)ethanol

2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-1-(2-fluorophenyl)ethanol (PubChem CID 111778224) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-1-(2-fluorophenyl)ethanol
PubChem CID111778224
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-1-(2-fluorophenyl)ethanol
SMILESOC(CNCC1=CCCOC1)c1ccccc1F
InChIInChI=1S/C14H18FNO2/c15-13-6-2-1-5-12(13)14(17)9-16-8-11-4-3-7-18-10-11/h1-2,4-6,14,16-17H,3,7-10H2
InChIKeyRCJVZECADJEFKH-UHFFFAOYSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(5-bromothiophen-2-yl)methylamino]-1-(2-fluorophenyl)ethanol
CID 60743964
1-(2-fluorophenyl)-2-[(4-methyloxan-4-yl)amino]ethanol
CID 113491063
1-(2-fluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
CID 102905547
1-(2-fluorophenyl)-2-[(1-methylcyclopropyl)methylamino]ethanol
CID 107165971
5-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 106131230
1-(2-fluorophenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethanol
CID 79358145
4-[[[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzonitrile
CID 93355701
1-(2-fluorophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]ethanol
CID 110901257
3-ethyl-1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 106285676
methyl 4-[[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzoate
CID 110887723
2-[2-(2,2-difluoroethoxy)ethylamino]-1-(2-fluorophenyl)ethanol
CID 114127447
2-[[1-(dimethylamino)cyclobutyl]methylamino]-1-(2-fluorophenyl)ethanol
CID 105416434

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-1-(2-fluorophenyl)ethanol?
The IUPAC name of 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-1-(2-fluorophenyl)ethanol (CID 111778224) is 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-1-(2-fluorophenyl)ethanol is OC(CNCC1=CCCOC1)c1ccccc1F.
What is the InChIKey of 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-1-(2-fluorophenyl)ethanol?
The InChIKey is RCJVZECADJEFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-13-6-2-1-5-12(13)14(17)9-16-8-11-4-3-7-18-10-11/h1-2,4-6,14,16-17H,3,7-10H2.
What are the key properties of 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-1-(2-fluorophenyl)ethanol?
2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-1-(2-fluorophenyl)ethanol has a molecular weight of 251.30 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 111778224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).