3-(3-ethyl-4-methylphenyl)pyrrolidine

C13H19N — CID 84662276

IUPAC3-(3-ethyl-4-methylphenyl)pyrrolidine
SMILESCCc1cc(C2CCNC2)ccc1C
InChIInChI=1S/C13H19N/c1-3-11-8-12(5-4-10(11)2)13-6-7-14-9-13/h4-5,8,13-14H,3,6-7,9H2,1-2H3
InChIKeyLCYVDOSBHKXAFE-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.63
Rot. Bonds2

About 3-(3-ethyl-4-methylphenyl)pyrrolidine

3-(3-ethyl-4-methylphenyl)pyrrolidine (PubChem CID 84662276) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-(3-ethyl-4-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(3-ethyl-4-methylphenyl)pyrrolidine
PubChem CID84662276
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name3-(3-ethyl-4-methylphenyl)pyrrolidine
SMILESCCc1cc(C2CCNC2)ccc1C
InChIInChI=1S/C13H19N/c1-3-11-8-12(5-4-10(11)2)13-6-7-14-9-13/h4-5,8,13-14H,3,6-7,9H2,1-2H3
InChIKeyLCYVDOSBHKXAFE-UHFFFAOYSA-N
XLogP2.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-4-methylphenyl)pyrrolidine?
The IUPAC name of 3-(3-ethyl-4-methylphenyl)pyrrolidine (CID 84662276) is 3-(3-ethyl-4-methylphenyl)pyrrolidine.
What is the SMILES notation for 3-(3-ethyl-4-methylphenyl)pyrrolidine?
The canonical SMILES for 3-(3-ethyl-4-methylphenyl)pyrrolidine is CCc1cc(C2CCNC2)ccc1C.
What is the InChIKey of 3-(3-ethyl-4-methylphenyl)pyrrolidine?
The InChIKey is LCYVDOSBHKXAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-3-11-8-12(5-4-10(11)2)13-6-7-14-9-13/h4-5,8,13-14H,3,6-7,9H2,1-2H3.
What are the key properties of 3-(3-ethyl-4-methylphenyl)pyrrolidine?
3-(3-ethyl-4-methylphenyl)pyrrolidine has a molecular weight of 189.30 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-4-methylphenyl)pyrrolidine is sourced from PubChem (CID 84662276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).