[(2R,5S)-5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]methanamine

C14H20FNO2 — CID 44590692

IUPAC[(2R,5S)-5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]methanamine
SMILESCOc1ccc(F)cc1CC[C@H]1CC[C@H](CN)O1
InChIInChI=1S/C14H20FNO2/c1-17-14-7-3-11(15)8-10(14)2-4-12-5-6-13(9-16)18-12/h3,7-8,12-13H,2,4-6,9,16H2,1H3/t12-,13+/m0/s1
InChIKeyCLSUYIGLXGEXLU-QWHCGFSZSA-N
MW253.32 g/mol
LogP2.27
Rot. Bonds5

About [(2R,5S)-5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]methanamine

[(2R,5S)-5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]methanamine (PubChem CID 44590692) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is [(2R,5S)-5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[(2R,5S)-5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]methanamine
PubChem CID44590692
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name[(2R,5S)-5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]methanamine
SMILESCOc1ccc(F)cc1CC[C@H]1CC[C@H](CN)O1
InChIInChI=1S/C14H20FNO2/c1-17-14-7-3-11(15)8-10(14)2-4-12-5-6-13(9-16)18-12/h3,7-8,12-13H,2,4-6,9,16H2,1H3/t12-,13+/m0/s1
InChIKeyCLSUYIGLXGEXLU-QWHCGFSZSA-N
XLogP2.27
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]methanamine?
The IUPAC name of [(2R,5S)-5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]methanamine (CID 44590692) is [(2R,5S)-5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]methanamine.
What is the SMILES notation for [(2R,5S)-5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]methanamine?
The canonical SMILES for [(2R,5S)-5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]methanamine is COc1ccc(F)cc1CC[C@H]1CC[C@H](CN)O1.
What is the InChIKey of [(2R,5S)-5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]methanamine?
The InChIKey is CLSUYIGLXGEXLU-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-17-14-7-3-11(15)8-10(14)2-4-12-5-6-13(9-16)18-12/h3,7-8,12-13H,2,4-6,9,16H2,1H3/t12-,13+/m0/s1.
What are the key properties of [(2R,5S)-5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]methanamine?
[(2R,5S)-5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]methanamine has a molecular weight of 253.32 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]methanamine is sourced from PubChem (CID 44590692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).