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

C16H25FN2O — CID 62644713

IUPAC[1-[3-(ethylamino)-3-(3-fluorophenyl)propyl]pyrrolidin-2-yl]methanol
SMILESCCNC(CCN1CCCC1CO)c1cccc(F)c1
InChIInChI=1S/C16H25FN2O/c1-2-18-16(13-5-3-6-14(17)11-13)8-10-19-9-4-7-15(19)12-20/h3,5-6,11,15-16,18,20H,2,4,7-10,12H2,1H3
InChIKeyLNGBTSGGJDFELL-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.32
Rot. Bonds7

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

[1-[3-(ethylamino)-3-(3-fluorophenyl)propyl]pyrrolidin-2-yl]methanol (PubChem CID 62644713) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is [1-[3-(ethylamino)-3-(3-fluorophenyl)propyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-(ethylamino)-3-(3-fluorophenyl)propyl]pyrrolidin-2-yl]methanol
PubChem CID62644713
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name[1-[3-(ethylamino)-3-(3-fluorophenyl)propyl]pyrrolidin-2-yl]methanol
SMILESCCNC(CCN1CCCC1CO)c1cccc(F)c1
InChIInChI=1S/C16H25FN2O/c1-2-18-16(13-5-3-6-14(17)11-13)8-10-19-9-4-7-15(19)12-20/h3,5-6,11,15-16,18,20H,2,4,7-10,12H2,1H3
InChIKeyLNGBTSGGJDFELL-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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Frequently Asked Questions

What is the IUPAC name of [1-[3-(ethylamino)-3-(3-fluorophenyl)propyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[3-(ethylamino)-3-(3-fluorophenyl)propyl]pyrrolidin-2-yl]methanol (CID 62644713) is [1-[3-(ethylamino)-3-(3-fluorophenyl)propyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[3-(ethylamino)-3-(3-fluorophenyl)propyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[3-(ethylamino)-3-(3-fluorophenyl)propyl]pyrrolidin-2-yl]methanol is CCNC(CCN1CCCC1CO)c1cccc(F)c1.
What is the InChIKey of [1-[3-(ethylamino)-3-(3-fluorophenyl)propyl]pyrrolidin-2-yl]methanol?
The InChIKey is LNGBTSGGJDFELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-2-18-16(13-5-3-6-14(17)11-13)8-10-19-9-4-7-15(19)12-20/h3,5-6,11,15-16,18,20H,2,4,7-10,12H2,1H3.
What are the key properties of [1-[3-(ethylamino)-3-(3-fluorophenyl)propyl]pyrrolidin-2-yl]methanol?
[1-[3-(ethylamino)-3-(3-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-(3-fluorophenyl)propyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 62644713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).