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

C14H20FNO2 — CID 11536158

IUPAC2-[(2R,5S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]ethanamine
SMILESCOc1ccc(F)cc1C[C@@H]1CC[C@H](CCN)O1
InChIInChI=1S/C14H20FNO2/c1-17-14-5-2-11(15)8-10(14)9-13-4-3-12(18-13)6-7-16/h2,5,8,12-13H,3-4,6-7,9,16H2,1H3/t12-,13+/m1/s1
InChIKeyPJDWTDSVCNJUGD-OLZOCXBDSA-N
MW253.32 g/mol
LogP2.27
Rot. Bonds5

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

2-[(2R,5S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]ethanamine (PubChem CID 11536158) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[(2R,5S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]ethanamine.

Molecular Properties

Compound Name2-[(2R,5S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]ethanamine
PubChem CID11536158
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-[(2R,5S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]ethanamine
SMILESCOc1ccc(F)cc1C[C@@H]1CC[C@H](CCN)O1
InChIInChI=1S/C14H20FNO2/c1-17-14-5-2-11(15)8-10(14)9-13-4-3-12(18-13)6-7-16/h2,5,8,12-13H,3-4,6-7,9,16H2,1H3/t12-,13+/m1/s1
InChIKeyPJDWTDSVCNJUGD-OLZOCXBDSA-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 2-[(2R,5S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]ethanamine?
The IUPAC name of 2-[(2R,5S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]ethanamine (CID 11536158) is 2-[(2R,5S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]ethanamine.
What is the SMILES notation for 2-[(2R,5S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]ethanamine?
The canonical SMILES for 2-[(2R,5S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]ethanamine is COc1ccc(F)cc1C[C@@H]1CC[C@H](CCN)O1.
What is the InChIKey of 2-[(2R,5S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]ethanamine?
The InChIKey is PJDWTDSVCNJUGD-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-17-14-5-2-11(15)8-10(14)9-13-4-3-12(18-13)6-7-16/h2,5,8,12-13H,3-4,6-7,9,16H2,1H3/t12-,13+/m1/s1.
What are the key properties of 2-[(2R,5S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]ethanamine?
2-[(2R,5S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]ethanamine 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 2-[(2R,5S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]ethanamine is sourced from PubChem (CID 11536158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).