1-[3-(3,5-difluorophenyl)-3-(ethylamino)propyl]-3-methylpyrrolidin-3-ol

C16H24F2N2O — CID 103358518

IUPAC1-[3-(3,5-difluorophenyl)-3-(ethylamino)propyl]-3-methylpyrrolidin-3-ol
SMILESCCNC(CCN1CCC(C)(O)C1)c1cc(F)cc(F)c1
InChIInChI=1S/C16H24F2N2O/c1-3-19-15(12-8-13(17)10-14(18)9-12)4-6-20-7-5-16(2,21)11-20/h8-10,15,19,21H,3-7,11H2,1-2H3
InChIKeySXLQMBKTAIWNBE-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.46
Rot. Bonds6

About 1-[3-(3,5-difluorophenyl)-3-(ethylamino)propyl]-3-methylpyrrolidin-3-ol

1-[3-(3,5-difluorophenyl)-3-(ethylamino)propyl]-3-methylpyrrolidin-3-ol (PubChem CID 103358518) has the molecular formula C16H24F2N2O and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[3-(3,5-difluorophenyl)-3-(ethylamino)propyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[3-(3,5-difluorophenyl)-3-(ethylamino)propyl]-3-methylpyrrolidin-3-ol
PubChem CID103358518
Molecular FormulaC16H24F2N2O
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-[3-(3,5-difluorophenyl)-3-(ethylamino)propyl]-3-methylpyrrolidin-3-ol
SMILESCCNC(CCN1CCC(C)(O)C1)c1cc(F)cc(F)c1
InChIInChI=1S/C16H24F2N2O/c1-3-19-15(12-8-13(17)10-14(18)9-12)4-6-20-7-5-16(2,21)11-20/h8-10,15,19,21H,3-7,11H2,1-2H3
InChIKeySXLQMBKTAIWNBE-UHFFFAOYSA-N
XLogP2.46
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.46
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-(ethylamino)-3-(2-fluorophenyl)propyl]-3-methylpyrrolidin-3-ol
CID 103358509
1-[3-(3-bromophenyl)-3-(propylamino)propyl]-3-methylpyrrolidin-3-ol
CID 103358505
1-[3-amino-3-(3,5-difluorophenyl)propyl]-4-methylpiperidin-4-ol
CID 81116508
1-[3-(4-fluorophenyl)-3-(methylamino)propyl]-4-methylpiperidin-4-ol
CID 81115500
1-[3-(3-bromophenyl)-3-(methylamino)propyl]-3-methylpyrrolidin-3-ol
CID 103358583
1-(3,5-difluorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 115516524
1-[3-amino-3-(3-fluorophenyl)propyl]-4-methylpiperidin-4-ol
CID 81114930
N-ethyl-1-(3-fluoro-5-methylphenyl)butan-1-amine
CID 79705267
1-(3,5-difluorophenyl)-N-ethyl-4-methoxybutan-1-amine
CID 62605745
1-[3-amino-3-(4-bromophenyl)propyl]-3-methylpyrrolidin-3-ol
CID 103358555
1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-ol
CID 103728801

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-difluorophenyl)-3-(ethylamino)propyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[3-(3,5-difluorophenyl)-3-(ethylamino)propyl]-3-methylpyrrolidin-3-ol (CID 103358518) is 1-[3-(3,5-difluorophenyl)-3-(ethylamino)propyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[3-(3,5-difluorophenyl)-3-(ethylamino)propyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[3-(3,5-difluorophenyl)-3-(ethylamino)propyl]-3-methylpyrrolidin-3-ol is CCNC(CCN1CCC(C)(O)C1)c1cc(F)cc(F)c1.
What is the InChIKey of 1-[3-(3,5-difluorophenyl)-3-(ethylamino)propyl]-3-methylpyrrolidin-3-ol?
The InChIKey is SXLQMBKTAIWNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O/c1-3-19-15(12-8-13(17)10-14(18)9-12)4-6-20-7-5-16(2,21)11-20/h8-10,15,19,21H,3-7,11H2,1-2H3.
What are the key properties of 1-[3-(3,5-difluorophenyl)-3-(ethylamino)propyl]-3-methylpyrrolidin-3-ol?
1-[3-(3,5-difluorophenyl)-3-(ethylamino)propyl]-3-methylpyrrolidin-3-ol has a molecular weight of 298.38 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-difluorophenyl)-3-(ethylamino)propyl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103358518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).