1-ethyl-3-methyl-3-phenoxypyrrolidine

C13H19NO — CID 160635374

IUPAC1-ethyl-3-methyl-3-phenoxypyrrolidine
SMILESCCN1CCC(C)(Oc2ccccc2)C1
InChIInChI=1S/C13H19NO/c1-3-14-10-9-13(2,11-14)15-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3
InChIKeyIZFLNWNHDDNREZ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.55
Rot. Bonds3

About 1-ethyl-3-methyl-3-phenoxypyrrolidine

1-ethyl-3-methyl-3-phenoxypyrrolidine (PubChem CID 160635374) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-ethyl-3-methyl-3-phenoxypyrrolidine.

Molecular Properties

Compound Name1-ethyl-3-methyl-3-phenoxypyrrolidine
PubChem CID160635374
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-ethyl-3-methyl-3-phenoxypyrrolidine
SMILESCCN1CCC(C)(Oc2ccccc2)C1
InChIInChI=1S/C13H19NO/c1-3-14-10-9-13(2,11-14)15-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3
InChIKeyIZFLNWNHDDNREZ-UHFFFAOYSA-N
XLogP2.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-3-methyl-3-phenoxypyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-benzyl-1-ethyl-4-phenoxypiperidine
CID 20536567
3-(3-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)pyrrolidine
CID 121418539
2-methyl-6-[3-methyl-1-(2-phenoxyethyl)pyrrolidin-3-yl]oxyaniline
CID 145107872
2-methyl-2-(4-methyl-4-phenoxypiperidin-1-yl)propan-1-ol
CID 121418672
1-methyl-1-phenoxycycloheptane
CID 101026780
4-(4-chlorophenoxy)-4-methyl-1-(4-phenoxybutyl)piperidine
CID 121418465
1-ethyl-4-methyl-4-phenylpiperidine
CID 70451148
ethane;3-methoxy-4-[3-methyl-1-(2-phenoxyethyl)pyrrolidin-3-yl]oxyaniline
CID 145107874
1-[2-(2-ethenylphenoxy)ethyl]-4-methyl-4-phenoxypiperidine
CID 121429936
3-(2-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)piperidine
CID 121418378
ethane;3-(2-methoxy-4-nitrophenoxy)-3-methyl-1-(2-phenoxyethyl)pyrrolidine
CID 145108015
3-(4-chlorophenoxy)-1-[2-(3-ethenylphenoxy)ethyl]-3-methylpyrrolidine
CID 121430055

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-3-phenoxypyrrolidine?
The IUPAC name of 1-ethyl-3-methyl-3-phenoxypyrrolidine (CID 160635374) is 1-ethyl-3-methyl-3-phenoxypyrrolidine.
What is the SMILES notation for 1-ethyl-3-methyl-3-phenoxypyrrolidine?
The canonical SMILES for 1-ethyl-3-methyl-3-phenoxypyrrolidine is CCN1CCC(C)(Oc2ccccc2)C1.
What is the InChIKey of 1-ethyl-3-methyl-3-phenoxypyrrolidine?
The InChIKey is IZFLNWNHDDNREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-14-10-9-13(2,11-14)15-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-3-phenoxypyrrolidine?
1-ethyl-3-methyl-3-phenoxypyrrolidine has a molecular weight of 205.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-3-phenoxypyrrolidine is sourced from PubChem (CID 160635374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).