3-(2-phenoxypropyl)pyrrolidine

C13H19NO — CID 105458119

IUPAC3-(2-phenoxypropyl)pyrrolidine
SMILESCC(CC1CCNC1)Oc1ccccc1
InChIInChI=1S/C13H19NO/c1-11(9-12-7-8-14-10-12)15-13-5-3-2-4-6-13/h2-6,11-12,14H,7-10H2,1H3
InChIKeyIPNAYOQUIJXOPY-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.45
Rot. Bonds4

About 3-(2-phenoxypropyl)pyrrolidine

3-(2-phenoxypropyl)pyrrolidine (PubChem CID 105458119) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-(2-phenoxypropyl)pyrrolidine.

Molecular Properties

Compound Name3-(2-phenoxypropyl)pyrrolidine
PubChem CID105458119
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-(2-phenoxypropyl)pyrrolidine
SMILESCC(CC1CCNC1)Oc1ccccc1
InChIInChI=1S/C13H19NO/c1-11(9-12-7-8-14-10-12)15-13-5-3-2-4-6-13/h2-6,11-12,14H,7-10H2,1H3
InChIKeyIPNAYOQUIJXOPY-UHFFFAOYSA-N
XLogP2.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(4-fluorophenoxy)propyl]pyrrolidine
CID 105480864
(3R)-3-[(2R)-2-phenylpropyl]pyrrolidine
CID 86324114
3-[2-(2-methylphenoxy)propyl]piperidine
CID 105493581
(3R)-3-(phenoxymethyl)pyrrolidine
CID 26192487
(3S)-3-[(2S)-2-(3-methoxyphenyl)propyl]pyrrolidine
CID 58422845
2-phenoxy-3-piperidin-4-ylpropan-1-amine
CID 67752534
2-(1-pyrrolidin-3-ylpropan-2-yl)phenol
CID 83908767
3-(2-phenoxyethoxymethyl)pyrrolidine
CID 56829876
3-(1-phenoxyethyl)azetidine
CID 105437140
(3R)-3-(phenylmethoxymethyl)pyrrolidine
CID 26192483
3-(1-pyrrolidin-3-ylpropan-2-yl)pyridine
CID 83907317
N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine
CID 94408590

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenoxypropyl)pyrrolidine?
The IUPAC name of 3-(2-phenoxypropyl)pyrrolidine (CID 105458119) is 3-(2-phenoxypropyl)pyrrolidine.
What is the SMILES notation for 3-(2-phenoxypropyl)pyrrolidine?
The canonical SMILES for 3-(2-phenoxypropyl)pyrrolidine is CC(CC1CCNC1)Oc1ccccc1.
What is the InChIKey of 3-(2-phenoxypropyl)pyrrolidine?
The InChIKey is IPNAYOQUIJXOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11(9-12-7-8-14-10-12)15-13-5-3-2-4-6-13/h2-6,11-12,14H,7-10H2,1H3.
What are the key properties of 3-(2-phenoxypropyl)pyrrolidine?
3-(2-phenoxypropyl)pyrrolidine has a molecular weight of 205.30 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenoxypropyl)pyrrolidine is sourced from PubChem (CID 105458119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).