3-(3-chlorophenyl)-2,3-diethylpyrrolidine

C14H20ClN — CID 62354185

IUPAC3-(3-chlorophenyl)-2,3-diethylpyrrolidine
SMILESCCC1NCCC1(CC)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClN/c1-3-13-14(4-2,8-9-16-13)11-6-5-7-12(15)10-11/h5-7,10,13,16H,3-4,8-9H2,1-2H3
InChIKeyNURUNWJQKFUNDN-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.76
Rot. Bonds3

About 3-(3-chlorophenyl)-2,3-diethylpyrrolidine

3-(3-chlorophenyl)-2,3-diethylpyrrolidine (PubChem CID 62354185) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2,3-diethylpyrrolidine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2,3-diethylpyrrolidine
PubChem CID62354185
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name3-(3-chlorophenyl)-2,3-diethylpyrrolidine
SMILESCCC1NCCC1(CC)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClN/c1-3-13-14(4-2,8-9-16-13)11-6-5-7-12(15)10-11/h5-7,10,13,16H,3-4,8-9H2,1-2H3
InChIKeyNURUNWJQKFUNDN-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2,3-diethylpyrrolidine?
The IUPAC name of 3-(3-chlorophenyl)-2,3-diethylpyrrolidine (CID 62354185) is 3-(3-chlorophenyl)-2,3-diethylpyrrolidine.
What is the SMILES notation for 3-(3-chlorophenyl)-2,3-diethylpyrrolidine?
The canonical SMILES for 3-(3-chlorophenyl)-2,3-diethylpyrrolidine is CCC1NCCC1(CC)c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-2,3-diethylpyrrolidine?
The InChIKey is NURUNWJQKFUNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-3-13-14(4-2,8-9-16-13)11-6-5-7-12(15)10-11/h5-7,10,13,16H,3-4,8-9H2,1-2H3.
What are the key properties of 3-(3-chlorophenyl)-2,3-diethylpyrrolidine?
3-(3-chlorophenyl)-2,3-diethylpyrrolidine has a molecular weight of 237.77 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2,3-diethylpyrrolidine is sourced from PubChem (CID 62354185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).