3-[1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol

C16H25NO2 — CID 62467802

IUPAC3-[1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
SMILESCc1ccccc1OCCN1CCCC1CCCO
InChIInChI=1S/C16H25NO2/c1-14-6-2-3-9-16(14)19-13-11-17-10-4-7-15(17)8-5-12-18/h2-3,6,9,15,18H,4-5,7-8,10-13H2,1H3
InChIKeyVLJKEPINUHNARF-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.61
Rot. Bonds7

About 3-[1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol

3-[1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 62467802) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID62467802
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-[1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
SMILESCc1ccccc1OCCN1CCCC1CCCO
InChIInChI=1S/C16H25NO2/c1-14-6-2-3-9-16(14)19-13-11-17-10-4-7-15(17)8-5-12-18/h2-3,6,9,15,18H,4-5,7-8,10-13H2,1H3
InChIKeyVLJKEPINUHNARF-UHFFFAOYSA-N
XLogP2.61
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-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

3-[1-[3-(2-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
CID 111103083
2-[1-[2-(2-methylphenoxy)ethyl]piperidin-2-yl]ethanol
CID 60690162
3-[1-[3-(2-aminophenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
CID 62466981
3-[1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
CID 62466933
3-[1-[2-(4-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 55076411
1-methyl-2-[2-(2-methylphenoxy)ethyl]pyrrolidine
CID 23339324
3-[1-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 62467287
2-[1-[2-(2-chlorophenoxy)ethyl]piperidin-2-yl]ethanol
CID 60690193
3-[1-[3-(3-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
CID 62467990
3-[1-[2-(3-aminophenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 62466799
1-[2-(2-methylphenoxy)ethyl]piperidine-2-carbaldehyde
CID 62654078
1-[2-[2-[2-(2-hydroxyethyl)piperidin-1-yl]ethoxy]phenyl]ethanone
CID 60690046

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol (CID 62467802) is 3-[1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol is Cc1ccccc1OCCN1CCCC1CCCO.
What is the InChIKey of 3-[1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is VLJKEPINUHNARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-14-6-2-3-9-16(14)19-13-11-17-10-4-7-15(17)8-5-12-18/h2-3,6,9,15,18H,4-5,7-8,10-13H2,1H3.
What are the key properties of 3-[1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62467802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).