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

C13H18FNO2 — CID 44590644

IUPAC2-[(2R,5R)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]ethanamine
SMILESCOc1ccc(F)cc1[C@H]1CC[C@H](CCN)O1
InChIInChI=1S/C13H18FNO2/c1-16-12-4-2-9(14)8-11(12)13-5-3-10(17-13)6-7-15/h2,4,8,10,13H,3,5-7,15H2,1H3/t10-,13-/m1/s1
InChIKeyWFCMRRKVDOAHNR-ZWNOBZJWSA-N
MW239.29 g/mol
LogP2.40
Rot. Bonds4

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

2-[(2R,5R)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]ethanamine (PubChem CID 44590644) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-[(2R,5R)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]ethanamine.

Molecular Properties

Compound Name2-[(2R,5R)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]ethanamine
PubChem CID44590644
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-[(2R,5R)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]ethanamine
SMILESCOc1ccc(F)cc1[C@H]1CC[C@H](CCN)O1
InChIInChI=1S/C13H18FNO2/c1-16-12-4-2-9(14)8-11(12)13-5-3-10(17-13)6-7-15/h2,4,8,10,13H,3,5-7,15H2,1H3/t10-,13-/m1/s1
InChIKeyWFCMRRKVDOAHNR-ZWNOBZJWSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2R,5R)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5R)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]ethanamine?
The IUPAC name of 2-[(2R,5R)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]ethanamine (CID 44590644) is 2-[(2R,5R)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]ethanamine.
What is the SMILES notation for 2-[(2R,5R)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]ethanamine?
The canonical SMILES for 2-[(2R,5R)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]ethanamine is COc1ccc(F)cc1[C@H]1CC[C@H](CCN)O1.
What is the InChIKey of 2-[(2R,5R)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]ethanamine?
The InChIKey is WFCMRRKVDOAHNR-ZWNOBZJWSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-16-12-4-2-9(14)8-11(12)13-5-3-10(17-13)6-7-15/h2,4,8,10,13H,3,5-7,15H2,1H3/t10-,13-/m1/s1.
What are the key properties of 2-[(2R,5R)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]ethanamine?
2-[(2R,5R)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]ethanamine has a molecular weight of 239.29 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5R)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]ethanamine is sourced from PubChem (CID 44590644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).