2,4-dimethyl-1-[2-(4-methylphenoxy)ethyl]pyrrolidine

C15H23NO — CID 142818530

IUPAC2,4-dimethyl-1-[2-(4-methylphenoxy)ethyl]pyrrolidine
SMILESCc1ccc(OCCN2CC(C)CC2C)cc1
InChIInChI=1S/C15H23NO/c1-12-4-6-15(7-5-12)17-9-8-16-11-13(2)10-14(16)3/h4-7,13-14H,8-11H2,1-3H3
InChIKeyJLQCOHLWKSFXCL-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.10
Rot. Bonds4

About 2,4-dimethyl-1-[2-(4-methylphenoxy)ethyl]pyrrolidine

2,4-dimethyl-1-[2-(4-methylphenoxy)ethyl]pyrrolidine (PubChem CID 142818530) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2,4-dimethyl-1-[2-(4-methylphenoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name2,4-dimethyl-1-[2-(4-methylphenoxy)ethyl]pyrrolidine
PubChem CID142818530
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2,4-dimethyl-1-[2-(4-methylphenoxy)ethyl]pyrrolidine
SMILESCc1ccc(OCCN2CC(C)CC2C)cc1
InChIInChI=1S/C15H23NO/c1-12-4-6-15(7-5-12)17-9-8-16-11-13(2)10-14(16)3/h4-7,13-14H,8-11H2,1-3H3
InChIKeyJLQCOHLWKSFXCL-UHFFFAOYSA-N
XLogP3.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,5S)-3,5-dimethyl-1-[3-[4-(4-methylphenyl)phenoxy]propyl]piperidine
CID 11979093
(2R)-2-methyl-1-(2-phenoxyethyl)aziridine
CID 122210723
2,5-dimethyl-1-[4-(4-methylphenoxy)butyl]piperazine
CID 82248507
[1-[2-(4-ethoxyphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine
CID 115486226
2-[4-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]phenyl]acetonitrile
CID 114593266
3-fluoro-1-[2-(4-methylphenoxy)ethyl]azetidine
CID 176701641
4-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]benzoic acid
CID 62332504
[1-[2-(4-tert-butylphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine
CID 115486086
[4-methyl-1-[2-(4-methylphenoxy)ethyl]piperazin-2-yl]methanamine
CID 80506155
2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 11948033
[4-[3-(2,3,5-trimethylpiperidin-1-yl)propoxy]phenyl]methanamine
CID 114592329
(2S,3R)-2-[4-[2-[(2R,4R)-2,4-dimethylpyrrolidin-1-yl]ethoxy]phenyl]-3-(3-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol
CID 10116530

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[2-(4-methylphenoxy)ethyl]pyrrolidine?
The IUPAC name of 2,4-dimethyl-1-[2-(4-methylphenoxy)ethyl]pyrrolidine (CID 142818530) is 2,4-dimethyl-1-[2-(4-methylphenoxy)ethyl]pyrrolidine.
What is the SMILES notation for 2,4-dimethyl-1-[2-(4-methylphenoxy)ethyl]pyrrolidine?
The canonical SMILES for 2,4-dimethyl-1-[2-(4-methylphenoxy)ethyl]pyrrolidine is Cc1ccc(OCCN2CC(C)CC2C)cc1.
What is the InChIKey of 2,4-dimethyl-1-[2-(4-methylphenoxy)ethyl]pyrrolidine?
The InChIKey is JLQCOHLWKSFXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-4-6-15(7-5-12)17-9-8-16-11-13(2)10-14(16)3/h4-7,13-14H,8-11H2,1-3H3.
What are the key properties of 2,4-dimethyl-1-[2-(4-methylphenoxy)ethyl]pyrrolidine?
2,4-dimethyl-1-[2-(4-methylphenoxy)ethyl]pyrrolidine has a molecular weight of 233.35 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[2-(4-methylphenoxy)ethyl]pyrrolidine is sourced from PubChem (CID 142818530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).