2-[2-(2-chlorophenyl)ethyl]-2-propan-2-ylpyrrolidine

C15H22ClN — CID 117271523

IUPAC2-[2-(2-chlorophenyl)ethyl]-2-propan-2-ylpyrrolidine
SMILESCC(C)C1(CCc2ccccc2Cl)CCCN1
InChIInChI=1S/C15H22ClN/c1-12(2)15(9-5-11-17-15)10-8-13-6-3-4-7-14(13)16/h3-4,6-7,12,17H,5,8-11H2,1-2H3
InChIKeyAKIZJGZCMPDOQJ-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.05
Rot. Bonds4

About 2-[2-(2-chlorophenyl)ethyl]-2-propan-2-ylpyrrolidine

2-[2-(2-chlorophenyl)ethyl]-2-propan-2-ylpyrrolidine (PubChem CID 117271523) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)ethyl]-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)ethyl]-2-propan-2-ylpyrrolidine
PubChem CID117271523
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name2-[2-(2-chlorophenyl)ethyl]-2-propan-2-ylpyrrolidine
SMILESCC(C)C1(CCc2ccccc2Cl)CCCN1
InChIInChI=1S/C15H22ClN/c1-12(2)15(9-5-11-17-15)10-8-13-6-3-4-7-14(13)16/h3-4,6-7,12,17H,5,8-11H2,1-2H3
InChIKeyAKIZJGZCMPDOQJ-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,5-dichlorophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 66468098
2-propan-2-yl-2-(2-thiophen-2-ylethyl)azepane
CID 79119111
2-[(2-chloro-3-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 112653822
2-[(2,4-dichlorophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 66467195
2-[(2-chloro-5-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 102619043
2-benzyl-2-propan-2-ylpyrrolidine
CID 66466509
2-[(2-chlorophenyl)methyl]-2-methylazepane
CID 79119375
[2-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 83080326
2-(2-methoxyethyl)-2-propan-2-ylpiperidine
CID 117271109
2-dodecyl-2-propan-2-ylpyrrolidine
CID 66468316
2-[(2-fluorophenyl)methyl]-2-propan-2-ylazetidine
CID 115058741
2-pentyl-2-propan-2-ylazepane
CID 79119110

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)ethyl]-2-propan-2-ylpyrrolidine?
The IUPAC name of 2-[2-(2-chlorophenyl)ethyl]-2-propan-2-ylpyrrolidine (CID 117271523) is 2-[2-(2-chlorophenyl)ethyl]-2-propan-2-ylpyrrolidine.
What is the SMILES notation for 2-[2-(2-chlorophenyl)ethyl]-2-propan-2-ylpyrrolidine?
The canonical SMILES for 2-[2-(2-chlorophenyl)ethyl]-2-propan-2-ylpyrrolidine is CC(C)C1(CCc2ccccc2Cl)CCCN1.
What is the InChIKey of 2-[2-(2-chlorophenyl)ethyl]-2-propan-2-ylpyrrolidine?
The InChIKey is AKIZJGZCMPDOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-12(2)15(9-5-11-17-15)10-8-13-6-3-4-7-14(13)16/h3-4,6-7,12,17H,5,8-11H2,1-2H3.
What are the key properties of 2-[2-(2-chlorophenyl)ethyl]-2-propan-2-ylpyrrolidine?
2-[2-(2-chlorophenyl)ethyl]-2-propan-2-ylpyrrolidine has a molecular weight of 251.80 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)ethyl]-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 117271523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).