2-(5-ethyl-2-methylphenyl)pyrrolidine

C13H19N — CID 117281634

IUPAC2-(5-ethyl-2-methylphenyl)pyrrolidine
SMILESCCc1ccc(C)c(C2CCCN2)c1
InChIInChI=1S/C13H19N/c1-3-11-7-6-10(2)12(9-11)13-5-4-8-14-13/h6-7,9,13-14H,3-5,8H2,1-2H3
InChIKeyQLBFSURCWGSFKQ-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.98
Rot. Bonds2

About 2-(5-ethyl-2-methylphenyl)pyrrolidine

2-(5-ethyl-2-methylphenyl)pyrrolidine (PubChem CID 117281634) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-(5-ethyl-2-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(5-ethyl-2-methylphenyl)pyrrolidine
PubChem CID117281634
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2-(5-ethyl-2-methylphenyl)pyrrolidine
SMILESCCc1ccc(C)c(C2CCCN2)c1
InChIInChI=1S/C13H19N/c1-3-11-7-6-10(2)12(9-11)13-5-4-8-14-13/h6-7,9,13-14H,3-5,8H2,1-2H3
InChIKeyQLBFSURCWGSFKQ-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-tert-butyl-5-ethylphenyl)pyrrolidine
CID 146753691
4-ethyl-N,N-dimethyl-2-piperidin-2-ylaniline
CID 117116372
methyl 4-methyl-3-pyrrolidin-2-ylbenzoate
CID 57440534
4-ethyl-2-pyrrolidin-2-ylpyridine
CID 115009302
5-ethyl-2-pyrrolidin-2-ylpyridine
CID 89167891
2-(2,5-dimethylfuran-3-yl)pyrrolidine
CID 54594405
2-(4-chloro-2-methylphenyl)pyrrolidine
CID 55268605
2-(5-chloro-2-ethylphenyl)pyrrolidine
CID 84677413
(2R)-2-(3-chloro-2-ethylphenyl)pyrrolidine
CID 130786361
2-(2-methylfuran-3-yl)pyrrolidine
CID 82594864
2-(2,3-difluoro-4-methylphenyl)piperidine
CID 84678474
2-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine
CID 103693387

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-methylphenyl)pyrrolidine?
The IUPAC name of 2-(5-ethyl-2-methylphenyl)pyrrolidine (CID 117281634) is 2-(5-ethyl-2-methylphenyl)pyrrolidine.
What is the SMILES notation for 2-(5-ethyl-2-methylphenyl)pyrrolidine?
The canonical SMILES for 2-(5-ethyl-2-methylphenyl)pyrrolidine is CCc1ccc(C)c(C2CCCN2)c1.
What is the InChIKey of 2-(5-ethyl-2-methylphenyl)pyrrolidine?
The InChIKey is QLBFSURCWGSFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-3-11-7-6-10(2)12(9-11)13-5-4-8-14-13/h6-7,9,13-14H,3-5,8H2,1-2H3.
What are the key properties of 2-(5-ethyl-2-methylphenyl)pyrrolidine?
2-(5-ethyl-2-methylphenyl)pyrrolidine has a molecular weight of 189.30 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-methylphenyl)pyrrolidine is sourced from PubChem (CID 117281634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).