3-[2-(4-methylphenyl)phenyl]pyrrolidine

C17H19N — CID 46205700

IUPAC3-[2-(4-methylphenyl)phenyl]pyrrolidine
SMILESCc1ccc(-c2ccccc2C2CCNC2)cc1
InChIInChI=1S/C17H19N/c1-13-6-8-14(9-7-13)16-4-2-3-5-17(16)15-10-11-18-12-15/h2-9,15,18H,10-12H2,1H3
InChIKeyKJUSKAJDKDLWPG-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.74
Rot. Bonds2

About 3-[2-(4-methylphenyl)phenyl]pyrrolidine

3-[2-(4-methylphenyl)phenyl]pyrrolidine (PubChem CID 46205700) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-[2-(4-methylphenyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name3-[2-(4-methylphenyl)phenyl]pyrrolidine
PubChem CID46205700
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name3-[2-(4-methylphenyl)phenyl]pyrrolidine
SMILESCc1ccc(-c2ccccc2C2CCNC2)cc1
InChIInChI=1S/C17H19N/c1-13-6-8-14(9-7-13)16-4-2-3-5-17(16)15-10-11-18-12-15/h2-9,15,18H,10-12H2,1H3
InChIKeyKJUSKAJDKDLWPG-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylphenyl)phenyl]pyrrolidine?
The IUPAC name of 3-[2-(4-methylphenyl)phenyl]pyrrolidine (CID 46205700) is 3-[2-(4-methylphenyl)phenyl]pyrrolidine.
What is the SMILES notation for 3-[2-(4-methylphenyl)phenyl]pyrrolidine?
The canonical SMILES for 3-[2-(4-methylphenyl)phenyl]pyrrolidine is Cc1ccc(-c2ccccc2C2CCNC2)cc1.
What is the InChIKey of 3-[2-(4-methylphenyl)phenyl]pyrrolidine?
The InChIKey is KJUSKAJDKDLWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-13-6-8-14(9-7-13)16-4-2-3-5-17(16)15-10-11-18-12-15/h2-9,15,18H,10-12H2,1H3.
What are the key properties of 3-[2-(4-methylphenyl)phenyl]pyrrolidine?
3-[2-(4-methylphenyl)phenyl]pyrrolidine has a molecular weight of 237.35 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylphenyl)phenyl]pyrrolidine is sourced from PubChem (CID 46205700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).