1-(3-chloro-2,6-diethylphenyl)pyrrolidine

C14H20ClN — CID 168515644

IUPAC1-(3-chloro-2,6-diethylphenyl)pyrrolidine
SMILESCCc1ccc(Cl)c(CC)c1N1CCCC1
InChIInChI=1S/C14H20ClN/c1-3-11-7-8-13(15)12(4-2)14(11)16-9-5-6-10-16/h7-8H,3-6,9-10H2,1-2H3
InChIKeyWBMPTDHFVZLROB-UHFFFAOYSA-N
MW237.77 g/mol
LogP4.07
Rot. Bonds3

About 1-(3-chloro-2,6-diethylphenyl)pyrrolidine

1-(3-chloro-2,6-diethylphenyl)pyrrolidine (PubChem CID 168515644) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 1-(3-chloro-2,6-diethylphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(3-chloro-2,6-diethylphenyl)pyrrolidine
PubChem CID168515644
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name1-(3-chloro-2,6-diethylphenyl)pyrrolidine
SMILESCCc1ccc(Cl)c(CC)c1N1CCCC1
InChIInChI=1S/C14H20ClN/c1-3-11-7-8-13(15)12(4-2)14(11)16-9-5-6-10-16/h7-8H,3-6,9-10H2,1-2H3
InChIKeyWBMPTDHFVZLROB-UHFFFAOYSA-N
XLogP4.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2,6-diethylphenyl)pyrrolidine?
The IUPAC name of 1-(3-chloro-2,6-diethylphenyl)pyrrolidine (CID 168515644) is 1-(3-chloro-2,6-diethylphenyl)pyrrolidine.
What is the SMILES notation for 1-(3-chloro-2,6-diethylphenyl)pyrrolidine?
The canonical SMILES for 1-(3-chloro-2,6-diethylphenyl)pyrrolidine is CCc1ccc(Cl)c(CC)c1N1CCCC1.
What is the InChIKey of 1-(3-chloro-2,6-diethylphenyl)pyrrolidine?
The InChIKey is WBMPTDHFVZLROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-3-11-7-8-13(15)12(4-2)14(11)16-9-5-6-10-16/h7-8H,3-6,9-10H2,1-2H3.
What are the key properties of 1-(3-chloro-2,6-diethylphenyl)pyrrolidine?
1-(3-chloro-2,6-diethylphenyl)pyrrolidine has a molecular weight of 237.77 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2,6-diethylphenyl)pyrrolidine is sourced from PubChem (CID 168515644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).