3-[1-[2-[1-(ethylamino)ethyl]-3-fluorophenyl]pyrrolidin-2-yl]propan-1-ol

C17H27FN2O — CID 62467401

IUPAC3-[1-[2-[1-(ethylamino)ethyl]-3-fluorophenyl]pyrrolidin-2-yl]propan-1-ol
SMILESCCNC(C)c1c(F)cccc1N1CCCC1CCCO
InChIInChI=1S/C17H27FN2O/c1-3-19-13(2)17-15(18)9-4-10-16(17)20-11-5-7-14(20)8-6-12-21/h4,9-10,13-14,19,21H,3,5-8,11-12H2,1-2H3
InChIKeySFZVOPXSSJVFOD-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.24
Rot. Bonds7

About 3-[1-[2-[1-(ethylamino)ethyl]-3-fluorophenyl]pyrrolidin-2-yl]propan-1-ol

3-[1-[2-[1-(ethylamino)ethyl]-3-fluorophenyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 62467401) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 3-[1-[2-[1-(ethylamino)ethyl]-3-fluorophenyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[2-[1-(ethylamino)ethyl]-3-fluorophenyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID62467401
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name3-[1-[2-[1-(ethylamino)ethyl]-3-fluorophenyl]pyrrolidin-2-yl]propan-1-ol
SMILESCCNC(C)c1c(F)cccc1N1CCCC1CCCO
InChIInChI=1S/C17H27FN2O/c1-3-19-13(2)17-15(18)9-4-10-16(17)20-11-5-7-14(20)8-6-12-21/h4,9-10,13-14,19,21H,3,5-8,11-12H2,1-2H3
InChIKeySFZVOPXSSJVFOD-UHFFFAOYSA-N
XLogP3.24
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-2-yl]propan-1-ol
CID 78940988
3-[1-[4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-2-yl]propan-1-ol
CID 62467222
1-[2-fluoro-6-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]ethanone
CID 62469359
3-[1-[2-[1-(methylamino)ethyl]phenyl]pyrrolidin-2-yl]propan-1-ol
CID 62467578
1-[2-(2,4-dimethylpiperidin-1-yl)-6-fluorophenyl]-N-ethylethanamine
CID 62330685
1-[2-fluoro-6-[2-(hydroxymethyl)azepan-1-yl]phenyl]ethanol
CID 116635301
3-[1-[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-2-yl]propan-1-ol
CID 106960724
1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6-fluorophenyl]-N-methylethanamine
CID 65320533
3-[1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-2-yl]propan-1-ol
CID 55076409
1-(2-fluorophenyl)-2-propylpyrrolidine
CID 67817363
1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]propan-1-one
CID 112677416
1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-6-fluorophenyl]ethanamine
CID 62889981

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-[1-(ethylamino)ethyl]-3-fluorophenyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[2-[1-(ethylamino)ethyl]-3-fluorophenyl]pyrrolidin-2-yl]propan-1-ol (CID 62467401) is 3-[1-[2-[1-(ethylamino)ethyl]-3-fluorophenyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[2-[1-(ethylamino)ethyl]-3-fluorophenyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[2-[1-(ethylamino)ethyl]-3-fluorophenyl]pyrrolidin-2-yl]propan-1-ol is CCNC(C)c1c(F)cccc1N1CCCC1CCCO.
What is the InChIKey of 3-[1-[2-[1-(ethylamino)ethyl]-3-fluorophenyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is SFZVOPXSSJVFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-3-19-13(2)17-15(18)9-4-10-16(17)20-11-5-7-14(20)8-6-12-21/h4,9-10,13-14,19,21H,3,5-8,11-12H2,1-2H3.
What are the key properties of 3-[1-[2-[1-(ethylamino)ethyl]-3-fluorophenyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[2-[1-(ethylamino)ethyl]-3-fluorophenyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 294.41 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-[1-(ethylamino)ethyl]-3-fluorophenyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62467401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).