1-[4-fluoro-5-methyl-2-[1-(propylamino)ethyl]phenyl]-3-methylpyrrolidin-3-ol

C17H27FN2O — CID 103356505

IUPAC1-[4-fluoro-5-methyl-2-[1-(propylamino)ethyl]phenyl]-3-methylpyrrolidin-3-ol
SMILESCCCNC(C)c1cc(F)c(C)cc1N1CCC(C)(O)C1
InChIInChI=1S/C17H27FN2O/c1-5-7-19-13(3)14-10-15(18)12(2)9-16(14)20-8-6-17(4,21)11-20/h9-10,13,19,21H,5-8,11H2,1-4H3
InChIKeyKKMFPJAVWOYRRX-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.16
Rot. Bonds5

About 1-[4-fluoro-5-methyl-2-[1-(propylamino)ethyl]phenyl]-3-methylpyrrolidin-3-ol

1-[4-fluoro-5-methyl-2-[1-(propylamino)ethyl]phenyl]-3-methylpyrrolidin-3-ol (PubChem CID 103356505) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 1-[4-fluoro-5-methyl-2-[1-(propylamino)ethyl]phenyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[4-fluoro-5-methyl-2-[1-(propylamino)ethyl]phenyl]-3-methylpyrrolidin-3-ol
PubChem CID103356505
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name1-[4-fluoro-5-methyl-2-[1-(propylamino)ethyl]phenyl]-3-methylpyrrolidin-3-ol
SMILESCCCNC(C)c1cc(F)c(C)cc1N1CCC(C)(O)C1
InChIInChI=1S/C17H27FN2O/c1-5-7-19-13(3)14-10-15(18)12(2)9-16(14)20-8-6-17(4,21)11-20/h9-10,13,19,21H,5-8,11H2,1-4H3
InChIKeyKKMFPJAVWOYRRX-UHFFFAOYSA-N
XLogP3.16
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-5-methyl-2-[1-(propylamino)ethyl]phenyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[4-fluoro-5-methyl-2-[1-(propylamino)ethyl]phenyl]-3-methylpyrrolidin-3-ol (CID 103356505) is 1-[4-fluoro-5-methyl-2-[1-(propylamino)ethyl]phenyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[4-fluoro-5-methyl-2-[1-(propylamino)ethyl]phenyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[4-fluoro-5-methyl-2-[1-(propylamino)ethyl]phenyl]-3-methylpyrrolidin-3-ol is CCCNC(C)c1cc(F)c(C)cc1N1CCC(C)(O)C1.
What is the InChIKey of 1-[4-fluoro-5-methyl-2-[1-(propylamino)ethyl]phenyl]-3-methylpyrrolidin-3-ol?
The InChIKey is KKMFPJAVWOYRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-5-7-19-13(3)14-10-15(18)12(2)9-16(14)20-8-6-17(4,21)11-20/h9-10,13,19,21H,5-8,11H2,1-4H3.
What are the key properties of 1-[4-fluoro-5-methyl-2-[1-(propylamino)ethyl]phenyl]-3-methylpyrrolidin-3-ol?
1-[4-fluoro-5-methyl-2-[1-(propylamino)ethyl]phenyl]-3-methylpyrrolidin-3-ol has a molecular weight of 294.41 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-5-methyl-2-[1-(propylamino)ethyl]phenyl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103356505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).