3-(5-ethyl-2,3-dimethylphenyl)pyrrolidine

C14H21N — CID 117292117

IUPAC3-(5-ethyl-2,3-dimethylphenyl)pyrrolidine
SMILESCCc1cc(C)c(C)c(C2CCNC2)c1
InChIInChI=1S/C14H21N/c1-4-12-7-10(2)11(3)14(8-12)13-5-6-15-9-13/h7-8,13,15H,4-6,9H2,1-3H3
InChIKeyWTVASTBGIDZICM-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.94
Rot. Bonds2

About 3-(5-ethyl-2,3-dimethylphenyl)pyrrolidine

3-(5-ethyl-2,3-dimethylphenyl)pyrrolidine (PubChem CID 117292117) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-(5-ethyl-2,3-dimethylphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(5-ethyl-2,3-dimethylphenyl)pyrrolidine
PubChem CID117292117
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name3-(5-ethyl-2,3-dimethylphenyl)pyrrolidine
SMILESCCc1cc(C)c(C)c(C2CCNC2)c1
InChIInChI=1S/C14H21N/c1-4-12-7-10(2)11(3)14(8-12)13-5-6-15-9-13/h7-8,13,15H,4-6,9H2,1-3H3
InChIKeyWTVASTBGIDZICM-UHFFFAOYSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,3,5-trimethylphenyl)piperidine
CID 117292122
3-(3-fluoro-2,5-dimethylphenyl)pyrrolidine
CID 84772855
3-[(5-ethyl-2,3-dimethylphenyl)methyl]piperidine
CID 117335200
(3S)-3-(3-ethylphenyl)pyrrolidine
CID 130943916
3-(4-chloro-2,5-dimethylphenyl)pyrrolidine
CID 84781090
3-(4-fluoro-2,5-dimethylphenyl)pyrrolidine
CID 84772856
2-methyl-5-pyrrolidin-3-ylbenzene-1,4-diol
CID 117283580
3-(3-ethyl-4-methylphenyl)pyrrolidine
CID 84662276
3-(5-bromo-2-methylphenyl)pyrrolidine
CID 82388123
2,3,5-trimethyl-6-pyrrolidin-3-ylphenol
CID 117116664
3-(7-bromo-4-methyl-1,3-benzodioxol-5-yl)pyrrolidine
CID 117456993
3-(4-bromo-2-methoxy-3,5-dimethylphenyl)pyrrolidine
CID 117457157

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-2,3-dimethylphenyl)pyrrolidine?
The IUPAC name of 3-(5-ethyl-2,3-dimethylphenyl)pyrrolidine (CID 117292117) is 3-(5-ethyl-2,3-dimethylphenyl)pyrrolidine.
What is the SMILES notation for 3-(5-ethyl-2,3-dimethylphenyl)pyrrolidine?
The canonical SMILES for 3-(5-ethyl-2,3-dimethylphenyl)pyrrolidine is CCc1cc(C)c(C)c(C2CCNC2)c1.
What is the InChIKey of 3-(5-ethyl-2,3-dimethylphenyl)pyrrolidine?
The InChIKey is WTVASTBGIDZICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-4-12-7-10(2)11(3)14(8-12)13-5-6-15-9-13/h7-8,13,15H,4-6,9H2,1-3H3.
What are the key properties of 3-(5-ethyl-2,3-dimethylphenyl)pyrrolidine?
3-(5-ethyl-2,3-dimethylphenyl)pyrrolidine has a molecular weight of 203.33 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-2,3-dimethylphenyl)pyrrolidine is sourced from PubChem (CID 117292117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).