2-[3-[[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]oxolan-3-yl]ethanol

C17H24FNO2 — CID 75483141

IUPAC2-[3-[[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]oxolan-3-yl]ethanol
SMILESOCCC1(CNC2CCCc3cc(F)ccc32)CCOC1
InChIInChI=1S/C17H24FNO2/c18-14-4-5-15-13(10-14)2-1-3-16(15)19-11-17(6-8-20)7-9-21-12-17/h4-5,10,16,19-20H,1-3,6-9,11-12H2
InChIKeyKSWAKXQHLFUHKX-UHFFFAOYSA-N
MW293.38 g/mol
LogP2.58
Rot. Bonds5

About 2-[3-[[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]oxolan-3-yl]ethanol

2-[3-[[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]oxolan-3-yl]ethanol (PubChem CID 75483141) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 2-[3-[[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]oxolan-3-yl]ethanol.

Molecular Properties

Compound Name2-[3-[[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]oxolan-3-yl]ethanol
PubChem CID75483141
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name2-[3-[[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]oxolan-3-yl]ethanol
SMILESOCCC1(CNC2CCCc3cc(F)ccc32)CCOC1
InChIInChI=1S/C17H24FNO2/c18-14-4-5-15-13(10-14)2-1-3-16(15)19-11-17(6-8-20)7-9-21-12-17/h4-5,10,16,19-20H,1-3,6-9,11-12H2
InChIKeyKSWAKXQHLFUHKX-UHFFFAOYSA-N
XLogP2.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]oxolan-3-yl]ethanol?
The IUPAC name of 2-[3-[[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]oxolan-3-yl]ethanol (CID 75483141) is 2-[3-[[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]oxolan-3-yl]ethanol.
What is the SMILES notation for 2-[3-[[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]oxolan-3-yl]ethanol?
The canonical SMILES for 2-[3-[[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]oxolan-3-yl]ethanol is OCCC1(CNC2CCCc3cc(F)ccc32)CCOC1.
What is the InChIKey of 2-[3-[[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]oxolan-3-yl]ethanol?
The InChIKey is KSWAKXQHLFUHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c18-14-4-5-15-13(10-14)2-1-3-16(15)19-11-17(6-8-20)7-9-21-12-17/h4-5,10,16,19-20H,1-3,6-9,11-12H2.
What are the key properties of 2-[3-[[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]oxolan-3-yl]ethanol?
2-[3-[[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]oxolan-3-yl]ethanol has a molecular weight of 293.38 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]oxolan-3-yl]ethanol is sourced from PubChem (CID 75483141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).