2-[1-fluoro-2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine

C14H20FNO — CID 106640209

IUPAC2-[1-fluoro-2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine
SMILESCOc1ccc(C)cc1CC(F)C1CCCN1
InChIInChI=1S/C14H20FNO/c1-10-5-6-14(17-2)11(8-10)9-12(15)13-4-3-7-16-13/h5-6,8,12-13,16H,3-4,7,9H2,1-2H3
InChIKeyUSISLAUGPSUIJQ-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.64
Rot. Bonds4

About 2-[1-fluoro-2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine

2-[1-fluoro-2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine (PubChem CID 106640209) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-[1-fluoro-2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine.

Molecular Properties

Compound Name2-[1-fluoro-2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine
PubChem CID106640209
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-[1-fluoro-2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine
SMILESCOc1ccc(C)cc1CC(F)C1CCCN1
InChIInChI=1S/C14H20FNO/c1-10-5-6-14(17-2)11(8-10)9-12(15)13-4-3-7-16-13/h5-6,8,12-13,16H,3-4,7,9H2,1-2H3
InChIKeyUSISLAUGPSUIJQ-UHFFFAOYSA-N
XLogP2.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-chloro-4-methylphenyl)-1-fluoroethyl]pyrrolidine
CID 106871141
(2-methoxy-5-methylphenyl)-pyrrolidin-2-ylmethanol
CID 64866825
1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethanol
CID 64987117
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 80610569
1-cyclobutyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 64986574
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 80603088
2-[2-(2-bromo-4-fluorophenyl)-1-fluoroethyl]pyrrolidine
CID 106640367
2-[2-(4-bromo-2-chlorophenyl)-1-fluoroethyl]pyrrolidine
CID 106640462
2-(2-methoxy-5-methylphenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine
CID 107188088
1-methoxy-4-methyl-2-(3-methyl-2-propan-2-ylbutyl)benzene
CID 171593330
4-[(2-methoxy-5-methylphenyl)methoxy]piperidine
CID 62159793
2-[[5-(1-fluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine
CID 84700259

Frequently Asked Questions

What is the IUPAC name of 2-[1-fluoro-2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine?
The IUPAC name of 2-[1-fluoro-2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine (CID 106640209) is 2-[1-fluoro-2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine.
What is the SMILES notation for 2-[1-fluoro-2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine?
The canonical SMILES for 2-[1-fluoro-2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine is COc1ccc(C)cc1CC(F)C1CCCN1.
What is the InChIKey of 2-[1-fluoro-2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine?
The InChIKey is USISLAUGPSUIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10-5-6-14(17-2)11(8-10)9-12(15)13-4-3-7-16-13/h5-6,8,12-13,16H,3-4,7,9H2,1-2H3.
What are the key properties of 2-[1-fluoro-2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine?
2-[1-fluoro-2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine has a molecular weight of 237.32 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-fluoro-2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine is sourced from PubChem (CID 106640209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).