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

C13H18FNO2 — CID 11506975

IUPAC2-[(2R,5S)-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-MFKMUULPSA-N
MW239.29 g/mol
LogP2.40
Rot. Bonds4

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

2-[(2R,5S)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]ethanamine (PubChem CID 11506975) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-[(2R,5S)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]ethanamine.

Molecular Properties

Compound Name2-[(2R,5S)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]ethanamine
PubChem CID11506975
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-[(2R,5S)-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-MFKMUULPSA-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

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Related Compounds

2-Methoxyphenethylamine
CID 74896
Tetrahydrofuranyl ethylamine, 14
CID 11587069
2-Aminomethyl-5-(p-methoxyphenyl)tetrahydrofuran
CID 11658526
(2-{5-[2-(5-Fluoro-2-methoxy-phenyl)-ethyl]-tetrahydro-furan-2-yl}-ethyl)-methyl-amine
CID 25258809
Tetrahydrofuranyl ethylamine, 15
CID 44143473
((3R,4R)-4-(o-tolyloxy)chroman-3-yl)methanamine
CID 44593693
[(2R,5S)-5-[3-(5-fluoro-2-methoxyphenyl)propyl]oxolan-2-yl]methanamine
CID 44590726
3-(2-Methoxy-Phenyl)-Propylamine
CID 3063230
(E)-2-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-3-fluoroprop-2-en-1-amine;hydrochloride
CID 168287684
cis-2-Aminomethyl-5-(2''-methoxy-5''-fluorophenylmethyl)tetrahydrofuran
CID 11499666
cis-2-Aminoethyl-5-(2''-methoxy-5''-fluorobenzyl)-tetrahydrofuran
CID 11536158
((3S,4S)-4-(o-tolyloxy)-3,4-dihydro-2H-chromen-3-yl)methanamine
CID 44587445

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5S)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]ethanamine?
The IUPAC name of 2-[(2R,5S)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]ethanamine (CID 11506975) is 2-[(2R,5S)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]ethanamine.
What is the SMILES notation for 2-[(2R,5S)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]ethanamine?
The canonical SMILES for 2-[(2R,5S)-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,5S)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]ethanamine?
The InChIKey is WFCMRRKVDOAHNR-MFKMUULPSA-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,5S)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]ethanamine?
2-[(2R,5S)-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,5S)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]ethanamine is sourced from PubChem (CID 11506975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).