1-[3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propyl]-3-methylpyrrolidin-3-ol

C17H27FN2O — CID 103358486

IUPAC1-[3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propyl]-3-methylpyrrolidin-3-ol
SMILESCCNC(CCN1CCC(C)(O)C1)c1ccc(C)c(F)c1
InChIInChI=1S/C17H27FN2O/c1-4-19-16(14-6-5-13(2)15(18)11-14)7-9-20-10-8-17(3,21)12-20/h5-6,11,16,19,21H,4,7-10,12H2,1-3H3
InChIKeyQYYNOQRHWAAPJM-UHFFFAOYSA-N
MW294.41 g/mol
LogP2.63
Rot. Bonds6

About 1-[3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propyl]-3-methylpyrrolidin-3-ol

1-[3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propyl]-3-methylpyrrolidin-3-ol (PubChem CID 103358486) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 1-[3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propyl]-3-methylpyrrolidin-3-ol
PubChem CID103358486
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name1-[3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propyl]-3-methylpyrrolidin-3-ol
SMILESCCNC(CCN1CCC(C)(O)C1)c1ccc(C)c(F)c1
InChIInChI=1S/C17H27FN2O/c1-4-19-16(14-6-5-13(2)15(18)11-14)7-9-20-10-8-17(3,21)12-20/h5-6,11,16,19,21H,4,7-10,12H2,1-3H3
InChIKeyQYYNOQRHWAAPJM-UHFFFAOYSA-N
XLogP2.63
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3,5-difluorophenyl)-3-(ethylamino)propyl]-3-methylpyrrolidin-3-ol
CID 103358518
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
3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propan-1-ol
CID 65234936
N-ethyl-1-(3-fluoro-4-methylphenyl)butan-1-amine
CID 60818536
1-[3-(3-bromophenyl)-3-(methylamino)propyl]-3-methylpyrrolidin-3-ol
CID 103358583
N-ethyl-1-(3-fluoro-4-methylphenyl)-3-methylbutan-1-amine
CID 60818718
2-cyclopropyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 64906377
1-[3-(4-fluorophenyl)-3-(methylamino)propyl]-4-methylpiperidin-4-ol
CID 81115500
3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propanamide
CID 65234349
N-ethyl-1-(3-fluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166981
(1S)-1-(3-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70250173

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propyl]-3-methylpyrrolidin-3-ol (CID 103358486) is 1-[3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propyl]-3-methylpyrrolidin-3-ol is CCNC(CCN1CCC(C)(O)C1)c1ccc(C)c(F)c1.
What is the InChIKey of 1-[3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propyl]-3-methylpyrrolidin-3-ol?
The InChIKey is QYYNOQRHWAAPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-4-19-16(14-6-5-13(2)15(18)11-14)7-9-20-10-8-17(3,21)12-20/h5-6,11,16,19,21H,4,7-10,12H2,1-3H3.
What are the key properties of 1-[3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propyl]-3-methylpyrrolidin-3-ol?
1-[3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propyl]-3-methylpyrrolidin-3-ol has a molecular weight of 294.41 g/mol, XLogP of 2.63, 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-(3-fluoro-4-methylphenyl)propyl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103358486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).