2-methyl-1-[(3-propylphenyl)methyl]pyrrolidine

C15H23N — CID 171523670

IUPAC2-methyl-1-[(3-propylphenyl)methyl]pyrrolidine
SMILESCCCc1cccc(CN2CCCC2C)c1
InChIInChI=1S/C15H23N/c1-3-6-14-8-4-9-15(11-14)12-16-10-5-7-13(16)2/h4,8-9,11,13H,3,5-7,10,12H2,1-2H3
InChIKeyVGIWIVOWOGLKEL-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.62
Rot. Bonds4

About 2-methyl-1-[(3-propylphenyl)methyl]pyrrolidine

2-methyl-1-[(3-propylphenyl)methyl]pyrrolidine (PubChem CID 171523670) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 2-methyl-1-[(3-propylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-methyl-1-[(3-propylphenyl)methyl]pyrrolidine
PubChem CID171523670
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name2-methyl-1-[(3-propylphenyl)methyl]pyrrolidine
SMILESCCCc1cccc(CN2CCCC2C)c1
InChIInChI=1S/C15H23N/c1-3-6-14-8-4-9-15(11-14)12-16-10-5-7-13(16)2/h4,8-9,11,13H,3,5-7,10,12H2,1-2H3
InChIKeyVGIWIVOWOGLKEL-UHFFFAOYSA-N
XLogP3.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(3-propylphenyl)methyl]pyrrolidine?
The IUPAC name of 2-methyl-1-[(3-propylphenyl)methyl]pyrrolidine (CID 171523670) is 2-methyl-1-[(3-propylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-methyl-1-[(3-propylphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-methyl-1-[(3-propylphenyl)methyl]pyrrolidine is CCCc1cccc(CN2CCCC2C)c1.
What is the InChIKey of 2-methyl-1-[(3-propylphenyl)methyl]pyrrolidine?
The InChIKey is VGIWIVOWOGLKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-3-6-14-8-4-9-15(11-14)12-16-10-5-7-13(16)2/h4,8-9,11,13H,3,5-7,10,12H2,1-2H3.
What are the key properties of 2-methyl-1-[(3-propylphenyl)methyl]pyrrolidine?
2-methyl-1-[(3-propylphenyl)methyl]pyrrolidine has a molecular weight of 217.36 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(3-propylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 171523670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).