3-phenoxy-4-propan-2-ylpyrrolidine

C13H19NO — CID 130439582

IUPAC3-phenoxy-4-propan-2-ylpyrrolidine
SMILESCC(C)C1CNCC1Oc1ccccc1
InChIInChI=1S/C13H19NO/c1-10(2)12-8-14-9-13(12)15-11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3
InChIKeyFPXUMTBYPYGDGR-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.31
Rot. Bonds3

About 3-phenoxy-4-propan-2-ylpyrrolidine

3-phenoxy-4-propan-2-ylpyrrolidine (PubChem CID 130439582) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-phenoxy-4-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3-phenoxy-4-propan-2-ylpyrrolidine
PubChem CID130439582
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-phenoxy-4-propan-2-ylpyrrolidine
SMILESCC(C)C1CNCC1Oc1ccccc1
InChIInChI=1S/C13H19NO/c1-10(2)12-8-14-9-13(12)15-11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3
InChIKeyFPXUMTBYPYGDGR-UHFFFAOYSA-N
XLogP2.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenoxypyrrolidine-3-thiol
CID 130451524
(E)-but-2-enedioic acid;(3S,4S)-3-methoxy-4-phenoxypyrrolidine
CID 70454058
bis(4-phenoxypyrrolidin-3-yl) (E)-but-2-enedioate
CID 70454311
3-(1-phenoxyethyl)azetidine
CID 105437140
3-phenoxypiperidin-4-amine
CID 91441507
1-fluoro-4-[(1R,2S)-2-propan-2-ylcyclohexyl]oxybenzene
CID 176856906
4-(3-propan-2-ylphenoxy)pyrrolidin-3-ol
CID 63703160
ethane;bis((3-propan-2-ylcyclobutyl)oxybenzene)
CID 160603603
2-phenyl-3-propan-2-ylazetidine
CID 66350091
phenoxy-[(1S,6S)-6-propan-2-ylcyclohex-3-en-1-yl]oxymethanethione
CID 10683892
(3R,4R)-3-methyl-4-(phenoxymethyl)pyrrolidine
CID 68531803
1-(4-phenylpyrrolidin-3-yl)ethanol
CID 23009402

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-4-propan-2-ylpyrrolidine?
The IUPAC name of 3-phenoxy-4-propan-2-ylpyrrolidine (CID 130439582) is 3-phenoxy-4-propan-2-ylpyrrolidine.
What is the SMILES notation for 3-phenoxy-4-propan-2-ylpyrrolidine?
The canonical SMILES for 3-phenoxy-4-propan-2-ylpyrrolidine is CC(C)C1CNCC1Oc1ccccc1.
What is the InChIKey of 3-phenoxy-4-propan-2-ylpyrrolidine?
The InChIKey is FPXUMTBYPYGDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(2)12-8-14-9-13(12)15-11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3.
What are the key properties of 3-phenoxy-4-propan-2-ylpyrrolidine?
3-phenoxy-4-propan-2-ylpyrrolidine has a molecular weight of 205.30 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-4-propan-2-ylpyrrolidine is sourced from PubChem (CID 130439582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).