2-(3,4-dimethylphenyl)-3-phenylpyrrolidine

C18H21N — CID 64689458

IUPAC2-(3,4-dimethylphenyl)-3-phenylpyrrolidine
SMILESCc1ccc(C2NCCC2c2ccccc2)cc1C
InChIInChI=1S/C18H21N/c1-13-8-9-16(12-14(13)2)18-17(10-11-19-18)15-6-4-3-5-7-15/h3-9,12,17-19H,10-11H2,1-2H3
InChIKeyIGVMKEWFITWSBK-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.12
Rot. Bonds2

About 2-(3,4-dimethylphenyl)-3-phenylpyrrolidine

2-(3,4-dimethylphenyl)-3-phenylpyrrolidine (PubChem CID 64689458) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-3-phenylpyrrolidine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-3-phenylpyrrolidine
PubChem CID64689458
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name2-(3,4-dimethylphenyl)-3-phenylpyrrolidine
SMILESCc1ccc(C2NCCC2c2ccccc2)cc1C
InChIInChI=1S/C18H21N/c1-13-8-9-16(12-14(13)2)18-17(10-11-19-18)15-6-4-3-5-7-15/h3-9,12,17-19H,10-11H2,1-2H3
InChIKeyIGVMKEWFITWSBK-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-3-phenylpyrrolidine?
The IUPAC name of 2-(3,4-dimethylphenyl)-3-phenylpyrrolidine (CID 64689458) is 2-(3,4-dimethylphenyl)-3-phenylpyrrolidine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-3-phenylpyrrolidine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-3-phenylpyrrolidine is Cc1ccc(C2NCCC2c2ccccc2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-3-phenylpyrrolidine?
The InChIKey is IGVMKEWFITWSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-13-8-9-16(12-14(13)2)18-17(10-11-19-18)15-6-4-3-5-7-15/h3-9,12,17-19H,10-11H2,1-2H3.
What are the key properties of 2-(3,4-dimethylphenyl)-3-phenylpyrrolidine?
2-(3,4-dimethylphenyl)-3-phenylpyrrolidine has a molecular weight of 251.37 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-3-phenylpyrrolidine is sourced from PubChem (CID 64689458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).