2-[(3-chloro-4-methylphenyl)methyl]-2-ethylpyrrolidine

C14H20ClN — CID 106819392

IUPAC2-[(3-chloro-4-methylphenyl)methyl]-2-ethylpyrrolidine
SMILESCCC1(Cc2ccc(C)c(Cl)c2)CCCN1
InChIInChI=1S/C14H20ClN/c1-3-14(7-4-8-16-14)10-12-6-5-11(2)13(15)9-12/h5-6,9,16H,3-4,7-8,10H2,1-2H3
InChIKeyWFJYANWLKCIJFF-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.72
Rot. Bonds3

About 2-[(3-chloro-4-methylphenyl)methyl]-2-ethylpyrrolidine

2-[(3-chloro-4-methylphenyl)methyl]-2-ethylpyrrolidine (PubChem CID 106819392) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 2-[(3-chloro-4-methylphenyl)methyl]-2-ethylpyrrolidine.

Molecular Properties

Compound Name2-[(3-chloro-4-methylphenyl)methyl]-2-ethylpyrrolidine
PubChem CID106819392
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name2-[(3-chloro-4-methylphenyl)methyl]-2-ethylpyrrolidine
SMILESCCC1(Cc2ccc(C)c(Cl)c2)CCCN1
InChIInChI=1S/C14H20ClN/c1-3-14(7-4-8-16-14)10-12-6-5-11(2)13(15)9-12/h5-6,9,16H,3-4,7-8,10H2,1-2H3
InChIKeyWFJYANWLKCIJFF-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-bromo-4-methylphenyl)methyl]-2-ethylpyrrolidine
CID 105411973
2-ethyl-2-[(4-methylphenyl)methyl]piperidine
CID 115058967
2-[(2,5-dichlorophenyl)methyl]-2-ethylazepane
CID 79116804
2-[(3-bromo-4-methylphenyl)methyl]-2-(2-methylpropyl)pyrrolidine
CID 105411975
2-[(2-chloro-6-fluorophenyl)methyl]-2-ethylpyrrolidine
CID 66468283
[2-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 107895007
2-ethyl-2-[2-(4-methylphenyl)ethyl]pyrrolidine
CID 117271535
5-ethyl-2-[(2-ethylpyrrolidin-2-yl)methyl]pyridine
CID 79748317
2-[(3,4-difluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine
CID 82922545
2-[(4-chloro-2-fluorophenyl)methyl]-2-ethylazepane
CID 114856386
2-ethyl-2-[(3-fluorophenyl)methyl]azetidine
CID 115058779
2-[(2-ethylpyrrolidin-2-yl)methyl]-5-methylpyridine
CID 104688305

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methylphenyl)methyl]-2-ethylpyrrolidine?
The IUPAC name of 2-[(3-chloro-4-methylphenyl)methyl]-2-ethylpyrrolidine (CID 106819392) is 2-[(3-chloro-4-methylphenyl)methyl]-2-ethylpyrrolidine.
What is the SMILES notation for 2-[(3-chloro-4-methylphenyl)methyl]-2-ethylpyrrolidine?
The canonical SMILES for 2-[(3-chloro-4-methylphenyl)methyl]-2-ethylpyrrolidine is CCC1(Cc2ccc(C)c(Cl)c2)CCCN1.
What is the InChIKey of 2-[(3-chloro-4-methylphenyl)methyl]-2-ethylpyrrolidine?
The InChIKey is WFJYANWLKCIJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-3-14(7-4-8-16-14)10-12-6-5-11(2)13(15)9-12/h5-6,9,16H,3-4,7-8,10H2,1-2H3.
What are the key properties of 2-[(3-chloro-4-methylphenyl)methyl]-2-ethylpyrrolidine?
2-[(3-chloro-4-methylphenyl)methyl]-2-ethylpyrrolidine has a molecular weight of 237.77 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-methylphenyl)methyl]-2-ethylpyrrolidine is sourced from PubChem (CID 106819392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).