1-[3-(ethylamino)-3-(2-fluorophenyl)propyl]-3-methylpyrrolidin-3-ol

C16H25FN2O — CID 103358509

IUPAC1-[3-(ethylamino)-3-(2-fluorophenyl)propyl]-3-methylpyrrolidin-3-ol
SMILESCCNC(CCN1CCC(C)(O)C1)c1ccccc1F
InChIInChI=1S/C16H25FN2O/c1-3-18-15(13-6-4-5-7-14(13)17)8-10-19-11-9-16(2,20)12-19/h4-7,15,18,20H,3,8-12H2,1-2H3
InChIKeyGFLDUIMWPMKJFW-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.32
Rot. Bonds6

About 1-[3-(ethylamino)-3-(2-fluorophenyl)propyl]-3-methylpyrrolidin-3-ol

1-[3-(ethylamino)-3-(2-fluorophenyl)propyl]-3-methylpyrrolidin-3-ol (PubChem CID 103358509) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-[3-(ethylamino)-3-(2-fluorophenyl)propyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[3-(ethylamino)-3-(2-fluorophenyl)propyl]-3-methylpyrrolidin-3-ol
PubChem CID103358509
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-[3-(ethylamino)-3-(2-fluorophenyl)propyl]-3-methylpyrrolidin-3-ol
SMILESCCNC(CCN1CCC(C)(O)C1)c1ccccc1F
InChIInChI=1S/C16H25FN2O/c1-3-18-15(13-6-4-5-7-14(13)17)8-10-19-11-9-16(2,20)12-19/h4-7,15,18,20H,3,8-12H2,1-2H3
InChIKeyGFLDUIMWPMKJFW-UHFFFAOYSA-N
XLogP2.32
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-fluoro-4-methylphenyl)propyl]-3-methylpyrrolidin-3-ol
CID 103358486
1-[3-(3,5-difluorophenyl)-3-(ethylamino)propyl]-3-methylpyrrolidin-3-ol
CID 103358518
3-(azocan-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine
CID 62644973
1-[3-(ethylamino)-3-(2-fluorophenyl)propyl]piperidin-3-ol
CID 62642826
3-(3,4-dimethylpiperazin-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine
CID 63634964
1-[3-(2-fluorophenyl)-3-hydroxypropyl]-4-methylpiperidin-4-ol
CID 81116211
3-(azepan-1-yl)-1-(2-fluorophenyl)-N-propylpropan-1-amine
CID 62645138
N-(2-fluorophenyl)-3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
CID 103728822
1-[3-(3-bromophenyl)-3-(propylamino)propyl]-3-methylpyrrolidin-3-ol
CID 103358505
3-(azepan-1-yl)-1-(2-fluorophenyl)-N-methylpropan-1-amine
CID 62644958
3-(4,4-diethylpiperidin-1-yl)-1-(2-fluorophenyl)propan-1-ol
CID 63160173
1-[3-(3-bromophenyl)-3-(methylamino)propyl]-3-methylpyrrolidin-3-ol
CID 103358583

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylamino)-3-(2-fluorophenyl)propyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[3-(ethylamino)-3-(2-fluorophenyl)propyl]-3-methylpyrrolidin-3-ol (CID 103358509) is 1-[3-(ethylamino)-3-(2-fluorophenyl)propyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[3-(ethylamino)-3-(2-fluorophenyl)propyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[3-(ethylamino)-3-(2-fluorophenyl)propyl]-3-methylpyrrolidin-3-ol is CCNC(CCN1CCC(C)(O)C1)c1ccccc1F.
What is the InChIKey of 1-[3-(ethylamino)-3-(2-fluorophenyl)propyl]-3-methylpyrrolidin-3-ol?
The InChIKey is GFLDUIMWPMKJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-3-18-15(13-6-4-5-7-14(13)17)8-10-19-11-9-16(2,20)12-19/h4-7,15,18,20H,3,8-12H2,1-2H3.
What are the key properties of 1-[3-(ethylamino)-3-(2-fluorophenyl)propyl]-3-methylpyrrolidin-3-ol?
1-[3-(ethylamino)-3-(2-fluorophenyl)propyl]-3-methylpyrrolidin-3-ol has a molecular weight of 280.39 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylamino)-3-(2-fluorophenyl)propyl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103358509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).