3-[2-(3,4-dimethylphenyl)phenyl]-1-methylpyrrolidine

C19H23N — CID 46206018

IUPAC3-[2-(3,4-dimethylphenyl)phenyl]-1-methylpyrrolidine
SMILESCc1ccc(-c2ccccc2C2CCN(C)C2)cc1C
InChIInChI=1S/C19H23N/c1-14-8-9-16(12-15(14)2)18-6-4-5-7-19(18)17-10-11-20(3)13-17/h4-9,12,17H,10-11,13H2,1-3H3
InChIKeyNOFOALGQZJEQRY-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.39
Rot. Bonds2

About 3-[2-(3,4-dimethylphenyl)phenyl]-1-methylpyrrolidine

3-[2-(3,4-dimethylphenyl)phenyl]-1-methylpyrrolidine (PubChem CID 46206018) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-[2-(3,4-dimethylphenyl)phenyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name3-[2-(3,4-dimethylphenyl)phenyl]-1-methylpyrrolidine
PubChem CID46206018
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name3-[2-(3,4-dimethylphenyl)phenyl]-1-methylpyrrolidine
SMILESCc1ccc(-c2ccccc2C2CCN(C)C2)cc1C
InChIInChI=1S/C19H23N/c1-14-8-9-16(12-15(14)2)18-6-4-5-7-19(18)17-10-11-20(3)13-17/h4-9,12,17H,10-11,13H2,1-3H3
InChIKeyNOFOALGQZJEQRY-UHFFFAOYSA-N
XLogP4.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dimethylphenyl)phenyl]-1-methylpyrrolidine?
The IUPAC name of 3-[2-(3,4-dimethylphenyl)phenyl]-1-methylpyrrolidine (CID 46206018) is 3-[2-(3,4-dimethylphenyl)phenyl]-1-methylpyrrolidine.
What is the SMILES notation for 3-[2-(3,4-dimethylphenyl)phenyl]-1-methylpyrrolidine?
The canonical SMILES for 3-[2-(3,4-dimethylphenyl)phenyl]-1-methylpyrrolidine is Cc1ccc(-c2ccccc2C2CCN(C)C2)cc1C.
What is the InChIKey of 3-[2-(3,4-dimethylphenyl)phenyl]-1-methylpyrrolidine?
The InChIKey is NOFOALGQZJEQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-14-8-9-16(12-15(14)2)18-6-4-5-7-19(18)17-10-11-20(3)13-17/h4-9,12,17H,10-11,13H2,1-3H3.
What are the key properties of 3-[2-(3,4-dimethylphenyl)phenyl]-1-methylpyrrolidine?
3-[2-(3,4-dimethylphenyl)phenyl]-1-methylpyrrolidine has a molecular weight of 265.40 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dimethylphenyl)phenyl]-1-methylpyrrolidine is sourced from PubChem (CID 46206018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).