3-[(1R)-1-phenoxy-1-phenylethyl]pyrrolidine

C18H21NO — CID 147466437

IUPAC3-[(1R)-1-phenoxy-1-phenylethyl]pyrrolidine
SMILESC[C@](Oc1ccccc1)(c1ccccc1)C1CCNC1
InChIInChI=1S/C18H21NO/c1-18(16-12-13-19-14-16,15-8-4-2-5-9-15)20-17-10-6-3-7-11-17/h2-11,16,19H,12-14H2,1H3/t16?,18-/m0/s1
InChIKeyFAXJIHRJVVOAIY-DAFXYXGESA-N
MW267.37 g/mol
LogP3.59
Rot. Bonds4

About 3-[(1R)-1-phenoxy-1-phenylethyl]pyrrolidine

3-[(1R)-1-phenoxy-1-phenylethyl]pyrrolidine (PubChem CID 147466437) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[(1R)-1-phenoxy-1-phenylethyl]pyrrolidine.

Molecular Properties

Compound Name3-[(1R)-1-phenoxy-1-phenylethyl]pyrrolidine
PubChem CID147466437
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name3-[(1R)-1-phenoxy-1-phenylethyl]pyrrolidine
SMILESC[C@](Oc1ccccc1)(c1ccccc1)C1CCNC1
InChIInChI=1S/C18H21NO/c1-18(16-12-13-19-14-16,15-8-4-2-5-9-15)20-17-10-6-3-7-11-17/h2-11,16,19H,12-14H2,1H3/t16?,18-/m0/s1
InChIKeyFAXJIHRJVVOAIY-DAFXYXGESA-N
XLogP3.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-phenoxy-1-phenylethyl]pyrrolidine?
The IUPAC name of 3-[(1R)-1-phenoxy-1-phenylethyl]pyrrolidine (CID 147466437) is 3-[(1R)-1-phenoxy-1-phenylethyl]pyrrolidine.
What is the SMILES notation for 3-[(1R)-1-phenoxy-1-phenylethyl]pyrrolidine?
The canonical SMILES for 3-[(1R)-1-phenoxy-1-phenylethyl]pyrrolidine is C[C@](Oc1ccccc1)(c1ccccc1)C1CCNC1.
What is the InChIKey of 3-[(1R)-1-phenoxy-1-phenylethyl]pyrrolidine?
The InChIKey is FAXJIHRJVVOAIY-DAFXYXGESA-N. The full InChI is InChI=1S/C18H21NO/c1-18(16-12-13-19-14-16,15-8-4-2-5-9-15)20-17-10-6-3-7-11-17/h2-11,16,19H,12-14H2,1H3/t16?,18-/m0/s1.
What are the key properties of 3-[(1R)-1-phenoxy-1-phenylethyl]pyrrolidine?
3-[(1R)-1-phenoxy-1-phenylethyl]pyrrolidine has a molecular weight of 267.37 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-phenoxy-1-phenylethyl]pyrrolidine is sourced from PubChem (CID 147466437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).