2-[2-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]ethoxy]ethanol

C22H24FNO3 — CID 17155107

IUPAC2-[2-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]ethoxy]ethanol
SMILESOCCOCCNCc1c(OCc2ccccc2F)ccc2ccccc12
InChIInChI=1S/C22H24FNO3/c23-21-8-4-2-6-18(21)16-27-22-10-9-17-5-1-3-7-19(17)20(22)15-24-11-13-26-14-12-25/h1-10,24-25H,11-16H2
InChIKeyGTUUQJMIBXXYBM-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.66
Rot. Bonds10

About 2-[2-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]ethoxy]ethanol

2-[2-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]ethoxy]ethanol (PubChem CID 17155107) has the molecular formula C22H24FNO3 and a molecular weight of 369.44 g/mol. Its IUPAC name is 2-[2-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]ethoxy]ethanol
PubChem CID17155107
Molecular FormulaC22H24FNO3
Molecular Weight369.44 g/mol
Exact Mass369.17
IUPAC Name2-[2-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]ethoxy]ethanol
SMILESOCCOCCNCc1c(OCc2ccccc2F)ccc2ccccc12
InChIInChI=1S/C22H24FNO3/c23-21-8-4-2-6-18(21)16-27-22-10-9-17-5-1-3-7-19(17)20(22)15-24-11-13-26-14-12-25/h1-10,24-25H,11-16H2
InChIKeyGTUUQJMIBXXYBM-UHFFFAOYSA-N
XLogP3.66
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethoxy]ethanol;hydrochloride
CID 17155181
N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propan-1-amine;hydrochloride
CID 17289991
N-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propane-1,3-diamine
CID 17215574
N'-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-N-methylpropane-1,3-diamine
CID 4721072
N',N'-diethyl-N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propane-1,3-diamine
CID 17215107
2-[2-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol
CID 17155250
(2S)-1-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol
CID 7632508
1-(4-fluorophenyl)-N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride
CID 17293230
2-(3,4-dimethoxyphenyl)-N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 4715843
N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride
CID 17295594
N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724157
2-[2-[1-(ethylaminomethyl)naphthalen-2-yl]oxyethoxy]ethanol
CID 61070673

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]ethoxy]ethanol (CID 17155107) is 2-[2-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]ethoxy]ethanol is OCCOCCNCc1c(OCc2ccccc2F)ccc2ccccc12.
What is the InChIKey of 2-[2-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]ethoxy]ethanol?
The InChIKey is GTUUQJMIBXXYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO3/c23-21-8-4-2-6-18(21)16-27-22-10-9-17-5-1-3-7-19(17)20(22)15-24-11-13-26-14-12-25/h1-10,24-25H,11-16H2.
What are the key properties of 2-[2-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]ethoxy]ethanol?
2-[2-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]ethoxy]ethanol has a molecular weight of 369.44 g/mol, XLogP of 3.66, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]ethoxy]ethanol is sourced from PubChem (CID 17155107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).