3-[2-(4-fluorophenoxy)propyl]pyrrolidine

C13H18FNO — CID 105480864

IUPAC3-[2-(4-fluorophenoxy)propyl]pyrrolidine
SMILESCC(CC1CCNC1)Oc1ccc(F)cc1
InChIInChI=1S/C13H18FNO/c1-10(8-11-6-7-15-9-11)16-13-4-2-12(14)3-5-13/h2-5,10-11,15H,6-9H2,1H3
InChIKeyGXRGSDRZCHSMDL-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.59
Rot. Bonds4

About 3-[2-(4-fluorophenoxy)propyl]pyrrolidine

3-[2-(4-fluorophenoxy)propyl]pyrrolidine (PubChem CID 105480864) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 3-[2-(4-fluorophenoxy)propyl]pyrrolidine.

Molecular Properties

Compound Name3-[2-(4-fluorophenoxy)propyl]pyrrolidine
PubChem CID105480864
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name3-[2-(4-fluorophenoxy)propyl]pyrrolidine
SMILESCC(CC1CCNC1)Oc1ccc(F)cc1
InChIInChI=1S/C13H18FNO/c1-10(8-11-6-7-15-9-11)16-13-4-2-12(14)3-5-13/h2-5,10-11,15H,6-9H2,1H3
InChIKeyGXRGSDRZCHSMDL-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-phenoxypropyl)pyrrolidine
CID 105458119
1-(4-fluorophenyl)-2-pyrrolidin-3-ylethanamine
CID 116936082
N-[2-(4-fluorophenoxy)propyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119804506
3-[2-(2-methylphenoxy)propyl]piperidine
CID 105493581
(3S)-3-[(2R)-2-(4-fluorophenoxy)propyl]-2,3-dihydro-1H-pyrrol-5-amine
CID 141253141
(3R)-3-[(4-fluorophenyl)methyl]pyrrolidine
CID 86309434
(3R)-3-[(2R)-2-phenylpropyl]pyrrolidine
CID 86324114
N-[(4-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-3-ylethanamine
CID 115210749
1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
CID 116951547
3-[(5-fluoro-2-methylsulfanylphenyl)methyl]pyrrolidine
CID 84790383
(3S)-3-[(4-fluorophenoxy)methyl]piperidine
CID 42427122
3-[2-(4-methylphenyl)propyl]pyrrolidine
CID 83908593

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenoxy)propyl]pyrrolidine?
The IUPAC name of 3-[2-(4-fluorophenoxy)propyl]pyrrolidine (CID 105480864) is 3-[2-(4-fluorophenoxy)propyl]pyrrolidine.
What is the SMILES notation for 3-[2-(4-fluorophenoxy)propyl]pyrrolidine?
The canonical SMILES for 3-[2-(4-fluorophenoxy)propyl]pyrrolidine is CC(CC1CCNC1)Oc1ccc(F)cc1.
What is the InChIKey of 3-[2-(4-fluorophenoxy)propyl]pyrrolidine?
The InChIKey is GXRGSDRZCHSMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-10(8-11-6-7-15-9-11)16-13-4-2-12(14)3-5-13/h2-5,10-11,15H,6-9H2,1H3.
What are the key properties of 3-[2-(4-fluorophenoxy)propyl]pyrrolidine?
3-[2-(4-fluorophenoxy)propyl]pyrrolidine has a molecular weight of 223.29 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenoxy)propyl]pyrrolidine is sourced from PubChem (CID 105480864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).