1-(4-ethoxyphenyl)-3-methylpyrrolidine

C13H19NO — CID 143805515

IUPAC1-(4-ethoxyphenyl)-3-methylpyrrolidine
SMILESCCOc1ccc(N2CCC(C)C2)cc1
InChIInChI=1S/C13H19NO/c1-3-15-13-6-4-12(5-7-13)14-9-8-11(2)10-14/h4-7,11H,3,8-10H2,1-2H3
InChIKeyCACOHJIUNGSWRI-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.93
Rot. Bonds3

About 1-(4-ethoxyphenyl)-3-methylpyrrolidine

1-(4-ethoxyphenyl)-3-methylpyrrolidine (PubChem CID 143805515) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-methylpyrrolidine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-methylpyrrolidine
PubChem CID143805515
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(4-ethoxyphenyl)-3-methylpyrrolidine
SMILESCCOc1ccc(N2CCC(C)C2)cc1
InChIInChI=1S/C13H19NO/c1-3-15-13-6-4-12(5-7-13)14-9-8-11(2)10-14/h4-7,11H,3,8-10H2,1-2H3
InChIKeyCACOHJIUNGSWRI-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1-(4-ethoxyphenyl)-3-methylpyrrolidine 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

(3R)-1-(4-ethoxyphenyl)pyrrolidin-3-ol
CID 95732309
1-(4-ethoxyphenyl)-4,6-dimethyl-1,4-diazepane
CID 138551851
4-ethoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559078
1-(4-ethoxyphenyl)pyrrolidin-3-amine
CID 43314939
2-(4-ethoxyphenyl)sulfanyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide
CID 56556168
1-(4-ethoxyphenyl)piperidin-3-ol
CID 117012789
1-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]ethanone
CID 83982048
4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]butan-2-amine
CID 83982060
N-[[1-(4-ethoxyphenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 62514030
3-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]propanoic acid
CID 83982038
2-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]-1,1,1-trifluoropropan-2-ol
CID 83982062
propan-2-yl 1-(4-ethoxyphenyl)pyrrolidine-3-carboxylate
CID 83982034

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-methylpyrrolidine?
The IUPAC name of 1-(4-ethoxyphenyl)-3-methylpyrrolidine (CID 143805515) is 1-(4-ethoxyphenyl)-3-methylpyrrolidine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-methylpyrrolidine?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-methylpyrrolidine is CCOc1ccc(N2CCC(C)C2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-methylpyrrolidine?
The InChIKey is CACOHJIUNGSWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-15-13-6-4-12(5-7-13)14-9-8-11(2)10-14/h4-7,11H,3,8-10H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-3-methylpyrrolidine?
1-(4-ethoxyphenyl)-3-methylpyrrolidine has a molecular weight of 205.30 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-methylpyrrolidine is sourced from PubChem (CID 143805515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).