2-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]pyrrolidine

C16H23N — CID 66466946

IUPAC2-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]pyrrolidine
SMILESCc1ccc(CC2(C3CC3)CCCN2)cc1C
InChIInChI=1S/C16H23N/c1-12-4-5-14(10-13(12)2)11-16(15-6-7-15)8-3-9-17-16/h4-5,10,15,17H,3,6-9,11H2,1-2H3
InChIKeyUGJRWSDWFAHXII-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.38
Rot. Bonds3

About 2-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]pyrrolidine

2-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]pyrrolidine (PubChem CID 66466946) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]pyrrolidine
PubChem CID66466946
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name2-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]pyrrolidine
SMILESCc1ccc(CC2(C3CC3)CCCN2)cc1C
InChIInChI=1S/C16H23N/c1-12-4-5-14(10-13(12)2)11-16(15-6-7-15)8-3-9-17-16/h4-5,10,15,17H,3,6-9,11H2,1-2H3
InChIKeyUGJRWSDWFAHXII-UHFFFAOYSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]pyrrolidine?
The IUPAC name of 2-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]pyrrolidine (CID 66466946) is 2-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]pyrrolidine is Cc1ccc(CC2(C3CC3)CCCN2)cc1C.
What is the InChIKey of 2-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]pyrrolidine?
The InChIKey is UGJRWSDWFAHXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-12-4-5-14(10-13(12)2)11-16(15-6-7-15)8-3-9-17-16/h4-5,10,15,17H,3,6-9,11H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]pyrrolidine?
2-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]pyrrolidine has a molecular weight of 229.37 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 66466946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).