4-(3-ethylphenoxy)-1-methyl-2-propylpyrrolidine

C16H25NO — CID 71013069

IUPAC4-(3-ethylphenoxy)-1-methyl-2-propylpyrrolidine
SMILESCCCC1CC(Oc2cccc(CC)c2)CN1C
InChIInChI=1S/C16H25NO/c1-4-7-14-11-16(12-17(14)3)18-15-9-6-8-13(5-2)10-15/h6,8-10,14,16H,4-5,7,11-12H2,1-3H3
InChIKeyLSKHDGVDFGATFQ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.50
Rot. Bonds5

About 4-(3-ethylphenoxy)-1-methyl-2-propylpyrrolidine

4-(3-ethylphenoxy)-1-methyl-2-propylpyrrolidine (PubChem CID 71013069) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-(3-ethylphenoxy)-1-methyl-2-propylpyrrolidine.

Molecular Properties

Compound Name4-(3-ethylphenoxy)-1-methyl-2-propylpyrrolidine
PubChem CID71013069
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-(3-ethylphenoxy)-1-methyl-2-propylpyrrolidine
SMILESCCCC1CC(Oc2cccc(CC)c2)CN1C
InChIInChI=1S/C16H25NO/c1-4-7-14-11-16(12-17(14)3)18-15-9-6-8-13(5-2)10-15/h6,8-10,14,16H,4-5,7,11-12H2,1-3H3
InChIKeyLSKHDGVDFGATFQ-UHFFFAOYSA-N
XLogP3.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(3-ethylphenoxy)-1-methyl-2-propylpyrrolidine 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

1-(3-bromocyclobutyl)oxy-3-ethylbenzene
CID 66345315
3-(3-ethylphenoxy)cyclopentan-1-ol
CID 79632352
(3-ethylphenoxy)cyclooctane
CID 91220327
3-[3-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine
CID 137435425
4-(3-ethylphenoxy)piperidine;hydrochloride
CID 46735688
(3S)-3-(3-ethylphenoxy)pyrrolidine
CID 26192115
1-[4-(3-ethylphenoxy)piperidin-1-yl]propan-1-one
CID 110603192
2-[2-(3-ethylphenoxy)ethyl]-1-methylpiperidine
CID 103616830
1-[4-(3-ethylphenoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 110420722
[3-(3-ethylphenoxy)azetidin-1-yl]-(4-hydroxycyclohexyl)methanone
CID 72865427
3-[5-[[3-(3-ethylphenoxy)azetidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91767851
2-(3-ethylphenoxy)piperidine
CID 91241218

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylphenoxy)-1-methyl-2-propylpyrrolidine?
The IUPAC name of 4-(3-ethylphenoxy)-1-methyl-2-propylpyrrolidine (CID 71013069) is 4-(3-ethylphenoxy)-1-methyl-2-propylpyrrolidine.
What is the SMILES notation for 4-(3-ethylphenoxy)-1-methyl-2-propylpyrrolidine?
The canonical SMILES for 4-(3-ethylphenoxy)-1-methyl-2-propylpyrrolidine is CCCC1CC(Oc2cccc(CC)c2)CN1C.
What is the InChIKey of 4-(3-ethylphenoxy)-1-methyl-2-propylpyrrolidine?
The InChIKey is LSKHDGVDFGATFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-7-14-11-16(12-17(14)3)18-15-9-6-8-13(5-2)10-15/h6,8-10,14,16H,4-5,7,11-12H2,1-3H3.
What are the key properties of 4-(3-ethylphenoxy)-1-methyl-2-propylpyrrolidine?
4-(3-ethylphenoxy)-1-methyl-2-propylpyrrolidine has a molecular weight of 247.38 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylphenoxy)-1-methyl-2-propylpyrrolidine is sourced from PubChem (CID 71013069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).