3-[2-(4-methylphenyl)propyl]pyrrolidine

C14H21N — CID 83908593

IUPAC3-[2-(4-methylphenyl)propyl]pyrrolidine
SMILESCc1ccc(C(C)CC2CCNC2)cc1
InChIInChI=1S/C14H21N/c1-11-3-5-14(6-4-11)12(2)9-13-7-8-15-10-13/h3-6,12-13,15H,7-10H2,1-2H3
InChIKeyIOMDBCRYSWYION-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.10
Rot. Bonds3

About 3-[2-(4-methylphenyl)propyl]pyrrolidine

3-[2-(4-methylphenyl)propyl]pyrrolidine (PubChem CID 83908593) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-[2-(4-methylphenyl)propyl]pyrrolidine.

Molecular Properties

Compound Name3-[2-(4-methylphenyl)propyl]pyrrolidine
PubChem CID83908593
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name3-[2-(4-methylphenyl)propyl]pyrrolidine
SMILESCc1ccc(C(C)CC2CCNC2)cc1
InChIInChI=1S/C14H21N/c1-11-3-5-14(6-4-11)12(2)9-13-7-8-15-10-13/h3-6,12-13,15H,7-10H2,1-2H3
InChIKeyIOMDBCRYSWYION-UHFFFAOYSA-N
XLogP3.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-[(2R)-2-phenylpropyl]pyrrolidine
CID 86324114
4-(1-pyrrolidin-3-ylpropan-2-yl)pyridine
CID 83907315
2-methyl-5-(1-pyrrolidin-3-ylpropan-2-yl)pyridine
CID 83908693
N,N-dimethyl-1-(4-methylphenyl)-2-pyrrolidin-3-ylethanamine
CID 116906713
3-[2-(4-chloro-3-fluorophenyl)propyl]pyrrolidine
CID 83912664
3-(1-pyrrolidin-3-ylpropan-2-yl)phenol
CID 83908768
3-(1-pyrrolidin-3-ylpropan-2-yl)pyridine
CID 83907317
4-[2-fluoro-2-(4-methylphenyl)ethyl]piperidine
CID 105478233
(3S)-3-[(2S)-2-(3-methoxyphenyl)propyl]pyrrolidine
CID 58422845
2-(1-pyrrolidin-3-ylpropan-2-yl)phenol
CID 83908767
N-methyl-1-(4-methylphenyl)-2-piperidin-3-ylethanamine
CID 116951716
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
CID 81349453

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylphenyl)propyl]pyrrolidine?
The IUPAC name of 3-[2-(4-methylphenyl)propyl]pyrrolidine (CID 83908593) is 3-[2-(4-methylphenyl)propyl]pyrrolidine.
What is the SMILES notation for 3-[2-(4-methylphenyl)propyl]pyrrolidine?
The canonical SMILES for 3-[2-(4-methylphenyl)propyl]pyrrolidine is Cc1ccc(C(C)CC2CCNC2)cc1.
What is the InChIKey of 3-[2-(4-methylphenyl)propyl]pyrrolidine?
The InChIKey is IOMDBCRYSWYION-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-11-3-5-14(6-4-11)12(2)9-13-7-8-15-10-13/h3-6,12-13,15H,7-10H2,1-2H3.
What are the key properties of 3-[2-(4-methylphenyl)propyl]pyrrolidine?
3-[2-(4-methylphenyl)propyl]pyrrolidine has a molecular weight of 203.33 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylphenyl)propyl]pyrrolidine is sourced from PubChem (CID 83908593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).