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

C17H27NO2 — CID 111103083

IUPAC3-[1-[3-(2-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
SMILESCc1ccccc1OCCCN1CCCC1CCCO
InChIInChI=1S/C17H27NO2/c1-15-7-2-3-10-17(15)20-14-6-12-18-11-4-8-16(18)9-5-13-19/h2-3,7,10,16,19H,4-6,8-9,11-14H2,1H3
InChIKeyJSKYLJGIMIADGQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.00
Rot. Bonds8

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

3-[1-[3-(2-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 111103083) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-[1-[3-(2-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[3-(2-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID111103083
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name3-[1-[3-(2-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
SMILESCc1ccccc1OCCCN1CCCC1CCCO
InChIInChI=1S/C17H27NO2/c1-15-7-2-3-10-17(15)20-14-6-12-18-11-4-8-16(18)9-5-13-19/h2-3,7,10,16,19H,4-6,8-9,11-14H2,1H3
InChIKeyJSKYLJGIMIADGQ-UHFFFAOYSA-N
XLogP3.00
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 62467802
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
2-[1-[2-(2-methylphenoxy)ethyl]piperidin-2-yl]ethanol
CID 60690162
1-methyl-2-[2-(2-methylphenoxy)ethyl]pyrrolidine
CID 23339324
3-[1-[3-(3-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
CID 62467990
3-[1-[2-(4-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 55076411
[(2R)-1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]methanol
CID 62736389
[(2S)-1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]methanol
CID 79028219
3-[1-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 62467287
2-[3-(2-ethylpyrrolidin-1-yl)propoxy]aniline
CID 54882910
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanone
CID 55075882

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(2-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[3-(2-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol (CID 111103083) is 3-[1-[3-(2-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[3-(2-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[3-(2-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol is Cc1ccccc1OCCCN1CCCC1CCCO.
What is the InChIKey of 3-[1-[3-(2-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is JSKYLJGIMIADGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-15-7-2-3-10-17(15)20-14-6-12-18-11-4-8-16(18)9-5-13-19/h2-3,7,10,16,19H,4-6,8-9,11-14H2,1H3.
What are the key properties of 3-[1-[3-(2-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[3-(2-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(2-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 111103083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).