3-[(2-tert-butyl-4-fluorophenoxy)methyl]-1-[(2-methylpropan-2-yl)oxy]pyrrolidine

C19H30FNO2 — CID 126490330

IUPAC3-[(2-tert-butyl-4-fluorophenoxy)methyl]-1-[(2-methylpropan-2-yl)oxy]pyrrolidine
SMILESCC(C)(C)ON1CCC(COc2ccc(F)cc2C(C)(C)C)C1
InChIInChI=1S/C19H30FNO2/c1-18(2,3)16-11-15(20)7-8-17(16)22-13-14-9-10-21(12-14)23-19(4,5)6/h7-8,11,14H,9-10,12-13H2,1-6H3
InChIKeyUZDMOPWKOQTSJT-UHFFFAOYSA-N
MW323.45 g/mol
LogP4.55
Rot. Bonds4

About 3-[(2-tert-butyl-4-fluorophenoxy)methyl]-1-[(2-methylpropan-2-yl)oxy]pyrrolidine

3-[(2-tert-butyl-4-fluorophenoxy)methyl]-1-[(2-methylpropan-2-yl)oxy]pyrrolidine (PubChem CID 126490330) has the molecular formula C19H30FNO2 and a molecular weight of 323.45 g/mol. Its IUPAC name is 3-[(2-tert-butyl-4-fluorophenoxy)methyl]-1-[(2-methylpropan-2-yl)oxy]pyrrolidine.

Molecular Properties

Compound Name3-[(2-tert-butyl-4-fluorophenoxy)methyl]-1-[(2-methylpropan-2-yl)oxy]pyrrolidine
PubChem CID126490330
Molecular FormulaC19H30FNO2
Molecular Weight323.45 g/mol
Exact Mass323.23
IUPAC Name3-[(2-tert-butyl-4-fluorophenoxy)methyl]-1-[(2-methylpropan-2-yl)oxy]pyrrolidine
SMILESCC(C)(C)ON1CCC(COc2ccc(F)cc2C(C)(C)C)C1
InChIInChI=1S/C19H30FNO2/c1-18(2,3)16-11-15(20)7-8-17(16)22-13-14-9-10-21(12-14)23-19(4,5)6/h7-8,11,14H,9-10,12-13H2,1-6H3
InChIKeyUZDMOPWKOQTSJT-UHFFFAOYSA-N
XLogP4.55
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.45
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(2-tert-butyl-4-fluorophenoxy)methyl]pyrrolidin-1-yl]-2-hydroxy-2-methoxyethanone
CID 126490335
3-[(2-tert-butyl-4-fluorophenoxy)methyl]-1-(4-methylidenehept-1-en-2-yl)pyrrolidine
CID 126490745
methyl 4-[4-[(2-tert-butyl-4-fluorophenoxy)methyl]piperidin-1-yl]-4-oxobutanoate
CID 59577152
3-[(2-tert-butylphenoxy)methyl]-1-methylpyrrolidine
CID 143793227
2-[2-(cyclobutylmethoxy)-5-fluorophenyl]propan-2-ol
CID 84700745
N-[[2-(cyclopropylmethoxy)-5-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 107696527
1-[(4-butylcyclohexyl)methoxy]-2,4-difluorobenzene
CID 67806514
[1-[3-[(2-tert-butylphenoxy)methyl]pyrrolidin-1-yl]peroxy-1-oxopropan-2-yl] acetate
CID 91384573
tert-butyl 3-[2-(cyclopropylmethoxy)-5-fluorophenyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171957425
tert-butyl 4-[(4-fluoro-2-pyrrolidin-1-ylphenoxy)methyl]piperidine-1-carboxylate
CID 168514807
3-[3-[(2-cyclopentyl-4-fluorophenoxy)methyl]pyrrolidin-1-yl]-2,2-dimethyl-3-oxopropanoic acid
CID 130297218
2-(cyclopropylmethoxy)-4-fluoro-1-methylbenzene;propane
CID 162532018

Frequently Asked Questions

What is the IUPAC name of 3-[(2-tert-butyl-4-fluorophenoxy)methyl]-1-[(2-methylpropan-2-yl)oxy]pyrrolidine?
The IUPAC name of 3-[(2-tert-butyl-4-fluorophenoxy)methyl]-1-[(2-methylpropan-2-yl)oxy]pyrrolidine (CID 126490330) is 3-[(2-tert-butyl-4-fluorophenoxy)methyl]-1-[(2-methylpropan-2-yl)oxy]pyrrolidine.
What is the SMILES notation for 3-[(2-tert-butyl-4-fluorophenoxy)methyl]-1-[(2-methylpropan-2-yl)oxy]pyrrolidine?
The canonical SMILES for 3-[(2-tert-butyl-4-fluorophenoxy)methyl]-1-[(2-methylpropan-2-yl)oxy]pyrrolidine is CC(C)(C)ON1CCC(COc2ccc(F)cc2C(C)(C)C)C1.
What is the InChIKey of 3-[(2-tert-butyl-4-fluorophenoxy)methyl]-1-[(2-methylpropan-2-yl)oxy]pyrrolidine?
The InChIKey is UZDMOPWKOQTSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FNO2/c1-18(2,3)16-11-15(20)7-8-17(16)22-13-14-9-10-21(12-14)23-19(4,5)6/h7-8,11,14H,9-10,12-13H2,1-6H3.
What are the key properties of 3-[(2-tert-butyl-4-fluorophenoxy)methyl]-1-[(2-methylpropan-2-yl)oxy]pyrrolidine?
3-[(2-tert-butyl-4-fluorophenoxy)methyl]-1-[(2-methylpropan-2-yl)oxy]pyrrolidine has a molecular weight of 323.45 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-tert-butyl-4-fluorophenoxy)methyl]-1-[(2-methylpropan-2-yl)oxy]pyrrolidine is sourced from PubChem (CID 126490330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).