2-phenyl-3-(4-propan-2-yloxyphenyl)pyrrolidine

C19H23NO — CID 62718142

IUPAC2-phenyl-3-(4-propan-2-yloxyphenyl)pyrrolidine
SMILESCC(C)Oc1ccc(C2CCNC2c2ccccc2)cc1
InChIInChI=1S/C19H23NO/c1-14(2)21-17-10-8-15(9-11-17)18-12-13-20-19(18)16-6-4-3-5-7-16/h3-11,14,18-20H,12-13H2,1-2H3
InChIKeyJLHNGOSBEFAGPU-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.29
Rot. Bonds4

About 2-phenyl-3-(4-propan-2-yloxyphenyl)pyrrolidine

2-phenyl-3-(4-propan-2-yloxyphenyl)pyrrolidine (PubChem CID 62718142) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-phenyl-3-(4-propan-2-yloxyphenyl)pyrrolidine.

Molecular Properties

Compound Name2-phenyl-3-(4-propan-2-yloxyphenyl)pyrrolidine
PubChem CID62718142
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2-phenyl-3-(4-propan-2-yloxyphenyl)pyrrolidine
SMILESCC(C)Oc1ccc(C2CCNC2c2ccccc2)cc1
InChIInChI=1S/C19H23NO/c1-14(2)21-17-10-8-15(9-11-17)18-12-13-20-19(18)16-6-4-3-5-7-16/h3-11,14,18-20H,12-13H2,1-2H3
InChIKeyJLHNGOSBEFAGPU-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(4-propan-2-yloxyphenyl)pyrrolidine?
The IUPAC name of 2-phenyl-3-(4-propan-2-yloxyphenyl)pyrrolidine (CID 62718142) is 2-phenyl-3-(4-propan-2-yloxyphenyl)pyrrolidine.
What is the SMILES notation for 2-phenyl-3-(4-propan-2-yloxyphenyl)pyrrolidine?
The canonical SMILES for 2-phenyl-3-(4-propan-2-yloxyphenyl)pyrrolidine is CC(C)Oc1ccc(C2CCNC2c2ccccc2)cc1.
What is the InChIKey of 2-phenyl-3-(4-propan-2-yloxyphenyl)pyrrolidine?
The InChIKey is JLHNGOSBEFAGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14(2)21-17-10-8-15(9-11-17)18-12-13-20-19(18)16-6-4-3-5-7-16/h3-11,14,18-20H,12-13H2,1-2H3.
What are the key properties of 2-phenyl-3-(4-propan-2-yloxyphenyl)pyrrolidine?
2-phenyl-3-(4-propan-2-yloxyphenyl)pyrrolidine has a molecular weight of 281.40 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(4-propan-2-yloxyphenyl)pyrrolidine is sourced from PubChem (CID 62718142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).