3-(3-fluorophenyl)-3-methyl-2-(2-methylpropyl)pyrrolidine

C15H22FN — CID 62763100

IUPAC3-(3-fluorophenyl)-3-methyl-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1NCCC1(C)c1cccc(F)c1
InChIInChI=1S/C15H22FN/c1-11(2)9-14-15(3,7-8-17-14)12-5-4-6-13(16)10-12/h4-6,10-11,14,17H,7-9H2,1-3H3
InChIKeyRUWQTJRGIQUTIQ-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.49
Rot. Bonds3

About 3-(3-fluorophenyl)-3-methyl-2-(2-methylpropyl)pyrrolidine

3-(3-fluorophenyl)-3-methyl-2-(2-methylpropyl)pyrrolidine (PubChem CID 62763100) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-3-methyl-2-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-3-methyl-2-(2-methylpropyl)pyrrolidine
PubChem CID62763100
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name3-(3-fluorophenyl)-3-methyl-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1NCCC1(C)c1cccc(F)c1
InChIInChI=1S/C15H22FN/c1-11(2)9-14-15(3,7-8-17-14)12-5-4-6-13(16)10-12/h4-6,10-11,14,17H,7-9H2,1-3H3
InChIKeyRUWQTJRGIQUTIQ-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]pyridine
CID 62753369
3-methyl-3-(5-methylfuran-2-yl)-2-(2-methylpropyl)pyrrolidine
CID 62753373
2-(3-fluorophenyl)-2-methylcyclobutan-1-ol
CID 130118878
2-(3-fluorophenyl)-2-methylcyclopropan-1-amine
CID 62387493
(1R)-2-(3-fluorophenyl)-2-methylcyclopropan-1-amine
CID 105432735
3,3-dimethyl-2-(2-methylpropyl)pyrrolidine
CID 62753360
1-fluoro-3-(1-methylcyclopropyl)benzene
CID 90779989
[2-(3-fluorophenyl)-2-methylcyclopropyl]methanol
CID 81358099
4-(3-fluorophenyl)-2-methylpiperidin-4-ol
CID 83820643
1-[2-(3-fluorophenyl)-2-methylcyclopropyl]-N-methylmethanamine
CID 62703823
N-[[1-(3-fluorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 64997970
1-(3-fluorophenyl)-3-(2-methylpropyl)piperazine
CID 64919809

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-3-methyl-2-(2-methylpropyl)pyrrolidine?
The IUPAC name of 3-(3-fluorophenyl)-3-methyl-2-(2-methylpropyl)pyrrolidine (CID 62763100) is 3-(3-fluorophenyl)-3-methyl-2-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 3-(3-fluorophenyl)-3-methyl-2-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 3-(3-fluorophenyl)-3-methyl-2-(2-methylpropyl)pyrrolidine is CC(C)CC1NCCC1(C)c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-3-methyl-2-(2-methylpropyl)pyrrolidine?
The InChIKey is RUWQTJRGIQUTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-11(2)9-14-15(3,7-8-17-14)12-5-4-6-13(16)10-12/h4-6,10-11,14,17H,7-9H2,1-3H3.
What are the key properties of 3-(3-fluorophenyl)-3-methyl-2-(2-methylpropyl)pyrrolidine?
3-(3-fluorophenyl)-3-methyl-2-(2-methylpropyl)pyrrolidine has a molecular weight of 235.35 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-3-methyl-2-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 62763100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).