2-(5-chloro-2-ethylphenyl)pyrrolidine

C12H16ClN — CID 84677413

IUPAC2-(5-chloro-2-ethylphenyl)pyrrolidine
SMILESCCc1ccc(Cl)cc1C1CCCN1
InChIInChI=1S/C12H16ClN/c1-2-9-5-6-10(13)8-11(9)12-4-3-7-14-12/h5-6,8,12,14H,2-4,7H2,1H3
InChIKeyRAYYQJQWEAUXTI-UHFFFAOYSA-N
MW209.72 g/mol
LogP3.33
Rot. Bonds2

About 2-(5-chloro-2-ethylphenyl)pyrrolidine

2-(5-chloro-2-ethylphenyl)pyrrolidine (PubChem CID 84677413) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 2-(5-chloro-2-ethylphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(5-chloro-2-ethylphenyl)pyrrolidine
PubChem CID84677413
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name2-(5-chloro-2-ethylphenyl)pyrrolidine
SMILESCCc1ccc(Cl)cc1C1CCCN1
InChIInChI=1S/C12H16ClN/c1-2-9-5-6-10(13)8-11(9)12-4-3-7-14-12/h5-6,8,12,14H,2-4,7H2,1H3
InChIKeyRAYYQJQWEAUXTI-UHFFFAOYSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(5-chloro-2-ethylphenyl)azetidine
CID 55269141
2-(4-chloro-2-methylphenyl)pyrrolidine
CID 55268605
(2R)-2-(2-bromo-5-chlorophenyl)pyrrolidine;hydrochloride
CID 171195900
2-(5-chloro-2-methoxyphenyl)azepane
CID 4015818
(2R)-2-(2,4-dichlorophenyl)piperidine;hydrochloride
CID 171195657
2-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride
CID 170920629
(2R)-2-(4-chloro-2-iodophenyl)pyrrolidine
CID 130648802
[2-[(2R)-azetidin-2-yl]-4-chlorophenyl]methanol
CID 130665382
2-(3-ethyl-4-fluorophenyl)pyrrolidine
CID 117284037
(2S)-2-(5-chloro-2-nitrophenyl)piperidine
CID 131335859
2-(2-ethylphenyl)azepane;hydrochloride
CID 146193845
2-(2,4-dichlorophenyl)azepane;hydrochloride
CID 17389702

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-ethylphenyl)pyrrolidine?
The IUPAC name of 2-(5-chloro-2-ethylphenyl)pyrrolidine (CID 84677413) is 2-(5-chloro-2-ethylphenyl)pyrrolidine.
What is the SMILES notation for 2-(5-chloro-2-ethylphenyl)pyrrolidine?
The canonical SMILES for 2-(5-chloro-2-ethylphenyl)pyrrolidine is CCc1ccc(Cl)cc1C1CCCN1.
What is the InChIKey of 2-(5-chloro-2-ethylphenyl)pyrrolidine?
The InChIKey is RAYYQJQWEAUXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-2-9-5-6-10(13)8-11(9)12-4-3-7-14-12/h5-6,8,12,14H,2-4,7H2,1H3.
What are the key properties of 2-(5-chloro-2-ethylphenyl)pyrrolidine?
2-(5-chloro-2-ethylphenyl)pyrrolidine has a molecular weight of 209.72 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-ethylphenyl)pyrrolidine is sourced from PubChem (CID 84677413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).