[1-[3-(ethylamino)-3-(4-fluorophenyl)propyl]pyrrolidin-2-yl]methanol

C16H25FN2O — CID 62645062

IUPAC[1-[3-(ethylamino)-3-(4-fluorophenyl)propyl]pyrrolidin-2-yl]methanol
SMILESCCNC(CCN1CCCC1CO)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2O/c1-2-18-16(13-5-7-14(17)8-6-13)9-11-19-10-3-4-15(19)12-20/h5-8,15-16,18,20H,2-4,9-12H2,1H3
InChIKeyWJJXHENXEXUPGA-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.32
Rot. Bonds7

About [1-[3-(ethylamino)-3-(4-fluorophenyl)propyl]pyrrolidin-2-yl]methanol

[1-[3-(ethylamino)-3-(4-fluorophenyl)propyl]pyrrolidin-2-yl]methanol (PubChem CID 62645062) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is [1-[3-(ethylamino)-3-(4-fluorophenyl)propyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-(ethylamino)-3-(4-fluorophenyl)propyl]pyrrolidin-2-yl]methanol
PubChem CID62645062
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name[1-[3-(ethylamino)-3-(4-fluorophenyl)propyl]pyrrolidin-2-yl]methanol
SMILESCCNC(CCN1CCCC1CO)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2O/c1-2-18-16(13-5-7-14(17)8-6-13)9-11-19-10-3-4-15(19)12-20/h5-8,15-16,18,20H,2-4,9-12H2,1H3
InChIKeyWJJXHENXEXUPGA-UHFFFAOYSA-N
XLogP2.32
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[3-(ethylamino)-3-(3-fluorophenyl)propyl]pyrrolidin-2-yl]methanol
CID 62644713
[1-[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]pyrrolidin-2-yl]methanol
CID 83126571
[1-[3-(4-methylphenyl)-3-(propylamino)propyl]pyrrolidin-2-yl]methanol
CID 62618435
N-ethyl-1-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-amine
CID 62644087
N-ethyl-3-(3-ethylmorpholin-4-yl)-1-(4-fluorophenyl)propan-1-amine
CID 62645364
1-(4-fluorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propan-1-ol
CID 116638257
N-ethyl-3-(3-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 62645008
N-ethyl-1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 62613985
[1-[3-(4-bromophenyl)-3-(methylamino)propyl]piperidin-2-yl]methanol
CID 62617417
[1-[3-(4-chlorophenyl)-3-(methylamino)propyl]piperidin-2-yl]methanol
CID 62642989
3-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 62645120
N-ethyl-1-(4-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 62617686

Frequently Asked Questions

What is the IUPAC name of [1-[3-(ethylamino)-3-(4-fluorophenyl)propyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[3-(ethylamino)-3-(4-fluorophenyl)propyl]pyrrolidin-2-yl]methanol (CID 62645062) is [1-[3-(ethylamino)-3-(4-fluorophenyl)propyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[3-(ethylamino)-3-(4-fluorophenyl)propyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[3-(ethylamino)-3-(4-fluorophenyl)propyl]pyrrolidin-2-yl]methanol is CCNC(CCN1CCCC1CO)c1ccc(F)cc1.
What is the InChIKey of [1-[3-(ethylamino)-3-(4-fluorophenyl)propyl]pyrrolidin-2-yl]methanol?
The InChIKey is WJJXHENXEXUPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-2-18-16(13-5-7-14(17)8-6-13)9-11-19-10-3-4-15(19)12-20/h5-8,15-16,18,20H,2-4,9-12H2,1H3.
What are the key properties of [1-[3-(ethylamino)-3-(4-fluorophenyl)propyl]pyrrolidin-2-yl]methanol?
[1-[3-(ethylamino)-3-(4-fluorophenyl)propyl]pyrrolidin-2-yl]methanol has a molecular weight of 280.39 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(ethylamino)-3-(4-fluorophenyl)propyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 62645062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).