1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidin-3-ol

C14H21NO2 — CID 103728682

IUPAC1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidin-3-ol
SMILESCOc1ccc(CCN2CCC(C)(O)C2)cc1
InChIInChI=1S/C14H21NO2/c1-14(16)8-10-15(11-14)9-7-12-3-5-13(17-2)6-4-12/h3-6,16H,7-11H2,1-2H3
InChIKeyKJVFXMOBNGWLHG-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.69
Rot. Bonds4

About 1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidin-3-ol

1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidin-3-ol (PubChem CID 103728682) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidin-3-ol
PubChem CID103728682
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidin-3-ol
SMILESCOc1ccc(CCN2CCC(C)(O)C2)cc1
InChIInChI=1S/C14H21NO2/c1-14(16)8-10-15(11-14)9-7-12-3-5-13(17-2)6-4-12/h3-6,16H,7-11H2,1-2H3
InChIKeyKJVFXMOBNGWLHG-UHFFFAOYSA-N
XLogP1.69
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidin-3-ol 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-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-3-ol
CID 115873746
1-[2-(4-methoxyphenyl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984211
1-[2-(4-methoxyphenyl)ethyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 154756940
3-ethyl-1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperazine
CID 64923987
1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylpiperidin-4-amine
CID 120775320
(3R)-1-[2-(4-methoxyphenyl)ethyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 129482534
(1-hydroxycyclopentyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 110908412
1-[2-(4-methoxyphenyl)ethyl]azetidin-3-ol
CID 63282641
1-[2-(4-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine
CID 175628874
(6R)-6-[(4-methoxyphenyl)methyl]-1,4-dimethylazepan-4-ol
CID 10912354
1-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]piperazine
CID 82308956
4-methyl-1-(2-phenylethyl)azepan-4-ol
CID 107408153

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidin-3-ol (CID 103728682) is 1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidin-3-ol is COc1ccc(CCN2CCC(C)(O)C2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidin-3-ol?
The InChIKey is KJVFXMOBNGWLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(16)8-10-15(11-14)9-7-12-3-5-13(17-2)6-4-12/h3-6,16H,7-11H2,1-2H3.
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidin-3-ol?
1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidin-3-ol has a molecular weight of 235.33 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103728682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).