3-[1-[2-(4-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol

C16H25NO2 — CID 55076411

IUPAC3-[1-[2-(4-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
SMILESCc1ccc(OCCN2CCCC2CCCO)cc1
InChIInChI=1S/C16H25NO2/c1-14-6-8-16(9-7-14)19-13-11-17-10-2-4-15(17)5-3-12-18/h6-9,15,18H,2-5,10-13H2,1H3
InChIKeyKQTBFHPSZQONMF-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.61
Rot. Bonds7

About 3-[1-[2-(4-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol

3-[1-[2-(4-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 55076411) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[1-[2-(4-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[2-(4-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID55076411
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-[1-[2-(4-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
SMILESCc1ccc(OCCN2CCCC2CCCO)cc1
InChIInChI=1S/C16H25NO2/c1-14-6-8-16(9-7-14)19-13-11-17-10-2-4-15(17)5-3-12-18/h6-9,15,18H,2-5,10-13H2,1H3
InChIKeyKQTBFHPSZQONMF-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

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Related Compounds

3-[1-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 62467287
3-[1-[3-(3-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
CID 62467990
3-[1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 62467802
3-[1-[2-(3-aminophenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 62466799
3-[1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
CID 62466933
3-[1-[3-(2-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
CID 111103083
[(2R)-1-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidin-2-yl]methanol
CID 62046348
[1-[2-(4-propoxyphenoxy)ethyl]piperidin-2-yl]methanol
CID 60684684
2-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanol
CID 60690500
4-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]benzonitrile
CID 78942373
4-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethoxy]benzoic acid
CID 62889995
3-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine-2-carboxylic acid
CID 107072281

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(4-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[2-(4-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol (CID 55076411) is 3-[1-[2-(4-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[2-(4-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[2-(4-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol is Cc1ccc(OCCN2CCCC2CCCO)cc1.
What is the InChIKey of 3-[1-[2-(4-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is KQTBFHPSZQONMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-14-6-8-16(9-7-14)19-13-11-17-10-2-4-15(17)5-3-12-18/h6-9,15,18H,2-5,10-13H2,1H3.
What are the key properties of 3-[1-[2-(4-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[2-(4-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-(4-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 55076411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).