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

C13H18FNO2 — CID 11499666

IUPAC[(2R,5S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]methanamine
SMILESCOc1ccc(F)cc1C[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C13H18FNO2/c1-16-13-5-2-10(14)6-9(13)7-11-3-4-12(8-15)17-11/h2,5-6,11-12H,3-4,7-8,15H2,1H3/t11-,12+/m0/s1
InChIKeyUNRUJFXXAULDMY-NWDGAFQWSA-N
MW239.29 g/mol
LogP1.88
Rot. Bonds4

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

[(2R,5S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]methanamine (PubChem CID 11499666) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is [(2R,5S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[(2R,5S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]methanamine
PubChem CID11499666
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name[(2R,5S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]methanamine
SMILESCOc1ccc(F)cc1C[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C13H18FNO2/c1-16-13-5-2-10(14)6-9(13)7-11-3-4-12(8-15)17-11/h2,5-6,11-12H,3-4,7-8,15H2,1H3/t11-,12+/m0/s1
InChIKeyUNRUJFXXAULDMY-NWDGAFQWSA-N
XLogP1.88
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]methanamine?
The IUPAC name of [(2R,5S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]methanamine (CID 11499666) is [(2R,5S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]methanamine.
What is the SMILES notation for [(2R,5S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]methanamine?
The canonical SMILES for [(2R,5S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]methanamine is COc1ccc(F)cc1C[C@@H]1CC[C@H](CN)O1.
What is the InChIKey of [(2R,5S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]methanamine?
The InChIKey is UNRUJFXXAULDMY-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-16-13-5-2-10(14)6-9(13)7-11-3-4-12(8-15)17-11/h2,5-6,11-12H,3-4,7-8,15H2,1H3/t11-,12+/m0/s1.
What are the key properties of [(2R,5S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]methanamine?
[(2R,5S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]methanamine has a molecular weight of 239.29 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]methanamine is sourced from PubChem (CID 11499666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).