1-methyl-3-[2-(2-methylphenyl)phenyl]pyrrolidine

C18H21N — CID 46206020

IUPAC1-methyl-3-[2-(2-methylphenyl)phenyl]pyrrolidine
SMILESCc1ccccc1-c1ccccc1C1CCN(C)C1
InChIInChI=1S/C18H21N/c1-14-7-3-4-8-16(14)18-10-6-5-9-17(18)15-11-12-19(2)13-15/h3-10,15H,11-13H2,1-2H3
InChIKeyFBKQBOIUAVUKOR-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.08
Rot. Bonds2

About 1-methyl-3-[2-(2-methylphenyl)phenyl]pyrrolidine

1-methyl-3-[2-(2-methylphenyl)phenyl]pyrrolidine (PubChem CID 46206020) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-methyl-3-[2-(2-methylphenyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-methyl-3-[2-(2-methylphenyl)phenyl]pyrrolidine
PubChem CID46206020
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name1-methyl-3-[2-(2-methylphenyl)phenyl]pyrrolidine
SMILESCc1ccccc1-c1ccccc1C1CCN(C)C1
InChIInChI=1S/C18H21N/c1-14-7-3-4-8-16(14)18-10-6-5-9-17(18)15-11-12-19(2)13-15/h3-10,15H,11-13H2,1-2H3
InChIKeyFBKQBOIUAVUKOR-UHFFFAOYSA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(2-methylphenyl)phenyl]pyrrolidine?
The IUPAC name of 1-methyl-3-[2-(2-methylphenyl)phenyl]pyrrolidine (CID 46206020) is 1-methyl-3-[2-(2-methylphenyl)phenyl]pyrrolidine.
What is the SMILES notation for 1-methyl-3-[2-(2-methylphenyl)phenyl]pyrrolidine?
The canonical SMILES for 1-methyl-3-[2-(2-methylphenyl)phenyl]pyrrolidine is Cc1ccccc1-c1ccccc1C1CCN(C)C1.
What is the InChIKey of 1-methyl-3-[2-(2-methylphenyl)phenyl]pyrrolidine?
The InChIKey is FBKQBOIUAVUKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-14-7-3-4-8-16(14)18-10-6-5-9-17(18)15-11-12-19(2)13-15/h3-10,15H,11-13H2,1-2H3.
What are the key properties of 1-methyl-3-[2-(2-methylphenyl)phenyl]pyrrolidine?
1-methyl-3-[2-(2-methylphenyl)phenyl]pyrrolidine has a molecular weight of 251.37 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(2-methylphenyl)phenyl]pyrrolidine is sourced from PubChem (CID 46206020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).