3-(4-ethoxyphenyl)-2-ethyl-3-methylpyrrolidine

C15H23NO — CID 62352999

IUPAC3-(4-ethoxyphenyl)-2-ethyl-3-methylpyrrolidine
SMILESCCOc1ccc(C2(C)CCNC2CC)cc1
InChIInChI=1S/C15H23NO/c1-4-14-15(3,10-11-16-14)12-6-8-13(9-7-12)17-5-2/h6-9,14,16H,4-5,10-11H2,1-3H3
InChIKeyAIKBNIOVIJDVBX-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.11
Rot. Bonds4

About 3-(4-ethoxyphenyl)-2-ethyl-3-methylpyrrolidine

3-(4-ethoxyphenyl)-2-ethyl-3-methylpyrrolidine (PubChem CID 62352999) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-2-ethyl-3-methylpyrrolidine.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-2-ethyl-3-methylpyrrolidine
PubChem CID62352999
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name3-(4-ethoxyphenyl)-2-ethyl-3-methylpyrrolidine
SMILESCCOc1ccc(C2(C)CCNC2CC)cc1
InChIInChI=1S/C15H23NO/c1-4-14-15(3,10-11-16-14)12-6-8-13(9-7-12)17-5-2/h6-9,14,16H,4-5,10-11H2,1-3H3
InChIKeyAIKBNIOVIJDVBX-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-3-methyl-3-(4-propylphenyl)pyrrolidine
CID 55191908
2-(4-ethoxyphenyl)-2-methylpyrrolidine
CID 66467822
2-ethyl-3-(5-ethylthiophen-2-yl)-3-methylpyrrolidine
CID 62355189
[2-(4-ethoxyphenyl)-2-methylcyclopropyl]methanol
CID 81358295
3-(4-ethoxyphenyl)-2,2,3-trimethylpyrrolidine
CID 55063190
(3-methyl-3-pyridin-4-ylpyrrolidin-2-yl)methanol
CID 126982374
1-(4-ethoxyphenyl)-2,2-dimethylcyclopropan-1-amine
CID 83701496
2-(4-ethoxyphenyl)-2-methyl-1,3-dioxolane
CID 82126602
4-(4-ethoxyphenyl)piperidine-4-carbonitrile
CID 46941924
1-(4-ethoxyphenyl)-4-methylcyclohexan-1-ol
CID 62788999
1-(4-ethoxyphenyl)-2-methylcyclopropan-1-ol
CID 79332202
2-ethyl-3,3-dimethylpyrrolidine
CID 62352617

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-2-ethyl-3-methylpyrrolidine?
The IUPAC name of 3-(4-ethoxyphenyl)-2-ethyl-3-methylpyrrolidine (CID 62352999) is 3-(4-ethoxyphenyl)-2-ethyl-3-methylpyrrolidine.
What is the SMILES notation for 3-(4-ethoxyphenyl)-2-ethyl-3-methylpyrrolidine?
The canonical SMILES for 3-(4-ethoxyphenyl)-2-ethyl-3-methylpyrrolidine is CCOc1ccc(C2(C)CCNC2CC)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-2-ethyl-3-methylpyrrolidine?
The InChIKey is AIKBNIOVIJDVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-14-15(3,10-11-16-14)12-6-8-13(9-7-12)17-5-2/h6-9,14,16H,4-5,10-11H2,1-3H3.
What are the key properties of 3-(4-ethoxyphenyl)-2-ethyl-3-methylpyrrolidine?
3-(4-ethoxyphenyl)-2-ethyl-3-methylpyrrolidine has a molecular weight of 233.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-2-ethyl-3-methylpyrrolidine is sourced from PubChem (CID 62352999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).