2-(2-fluorophenoxy)ethyl-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]azanium

C21H23FNO3+ — CID 2086422

IUPAC2-(2-fluorophenoxy)ethyl-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]azanium
SMILESO[C@H](C[NH2+]CCOc1ccccc1F)COc1ccc2ccccc2c1
InChIInChI=1S/C21H22FNO3/c22-20-7-3-4-8-21(20)25-12-11-23-14-18(24)15-26-19-10-9-16-5-1-2-6-17(16)13-19/h1-10,13,18,23-24H,11-12,14-15H2/p+1/t18-/m1/s1
InChIKeyWVPYLBINBGLABF-GOSISDBHSA-O
MW356.42 g/mol
LogP2.36
Rot. Bonds9

About 2-(2-fluorophenoxy)ethyl-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]azanium

2-(2-fluorophenoxy)ethyl-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]azanium (PubChem CID 2086422) has the molecular formula C21H23FNO3+ and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)ethyl-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]azanium.

Molecular Properties

Compound Name2-(2-fluorophenoxy)ethyl-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]azanium
PubChem CID2086422
Molecular FormulaC21H23FNO3+
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-(2-fluorophenoxy)ethyl-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]azanium
SMILESO[C@H](C[NH2+]CCOc1ccccc1F)COc1ccc2ccccc2c1
InChIInChI=1S/C21H22FNO3/c22-20-7-3-4-8-21(20)25-12-11-23-14-18(24)15-26-19-10-9-16-5-1-2-6-17(16)13-19/h1-10,13,18,23-24H,11-12,14-15H2/p+1/t18-/m1/s1
InChIKeyWVPYLBINBGLABF-GOSISDBHSA-O
XLogP2.36
TPSA55.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenoxy)ethyl-[(2R)-2-hydroxypropyl]azanium
CID 2232105
2-(4-chlorophenyl)ethyl-[(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]azanium
CID 2502105
1-naphthalen-2-yloxypropan-2-ol
CID 2793897
1-amino-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 119057189
[(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]-dimethylazanium
CID 7452468
(2R)-1-(methylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 1132897
1-[2-(2-hydroxy-3-naphthalen-1-yloxypropyl)hydrazinyl]-3-naphthalen-2-yloxypropan-2-ol
CID 170687383
1-(2-aminophenoxy)-3-(2-fluorophenoxy)propan-2-ol
CID 62269719
2-(4-cyanophenoxy)ethyl-[3-(3-cyanophenoxy)-2-hydroxypropyl]azanium chloride
CID 110169473
3-(2-fluorophenoxy)-2-hydroxypropan-1-olate
CID 45496401
1-[cyclobutyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
CID 111488940
(2R)-N'-[2-(2-fluorophenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 7927377

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)ethyl-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]azanium?
The IUPAC name of 2-(2-fluorophenoxy)ethyl-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]azanium (CID 2086422) is 2-(2-fluorophenoxy)ethyl-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]azanium.
What is the SMILES notation for 2-(2-fluorophenoxy)ethyl-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]azanium?
The canonical SMILES for 2-(2-fluorophenoxy)ethyl-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]azanium is O[C@H](C[NH2+]CCOc1ccccc1F)COc1ccc2ccccc2c1.
What is the InChIKey of 2-(2-fluorophenoxy)ethyl-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]azanium?
The InChIKey is WVPYLBINBGLABF-GOSISDBHSA-O. The full InChI is InChI=1S/C21H22FNO3/c22-20-7-3-4-8-21(20)25-12-11-23-14-18(24)15-26-19-10-9-16-5-1-2-6-17(16)13-19/h1-10,13,18,23-24H,11-12,14-15H2/p+1/t18-/m1/s1.
What are the key properties of 2-(2-fluorophenoxy)ethyl-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]azanium?
2-(2-fluorophenoxy)ethyl-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]azanium has a molecular weight of 356.42 g/mol, XLogP of 2.36, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)ethyl-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]azanium is sourced from PubChem (CID 2086422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).