[1-[3-(2,6-dimethylphenoxy)propyl]pyrrolidin-3-yl]methanol

C16H25NO2 — CID 111442606

IUPAC[1-[3-(2,6-dimethylphenoxy)propyl]pyrrolidin-3-yl]methanol
SMILESCc1cccc(C)c1OCCCN1CCC(CO)C1
InChIInChI=1S/C16H25NO2/c1-13-5-3-6-14(2)16(13)19-10-4-8-17-9-7-15(11-17)12-18/h3,5-6,15,18H,4,7-12H2,1-2H3
InChIKeyCHIMRYATILSCMA-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.39
Rot. Bonds6

About [1-[3-(2,6-dimethylphenoxy)propyl]pyrrolidin-3-yl]methanol

[1-[3-(2,6-dimethylphenoxy)propyl]pyrrolidin-3-yl]methanol (PubChem CID 111442606) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is [1-[3-(2,6-dimethylphenoxy)propyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[3-(2,6-dimethylphenoxy)propyl]pyrrolidin-3-yl]methanol
PubChem CID111442606
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name[1-[3-(2,6-dimethylphenoxy)propyl]pyrrolidin-3-yl]methanol
SMILESCc1cccc(C)c1OCCCN1CCC(CO)C1
InChIInChI=1S/C16H25NO2/c1-13-5-3-6-14(2)16(13)19-10-4-8-17-9-7-15(11-17)12-18/h3,5-6,15,18H,4,7-12H2,1-2H3
InChIKeyCHIMRYATILSCMA-UHFFFAOYSA-N
XLogP2.39
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.39
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

[1-[3-(3-chlorophenoxy)propyl]pyrrolidin-3-yl]methanol
CID 111442585
1-[3-(2,6-dimethylphenoxy)propyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907743
[1-(3-naphthalen-2-yloxypropyl)pyrrolidin-3-yl]methanol
CID 111442695
1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-amine;hydrochloride
CID 120965850
1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 120966169
(3R)-1-[3-[3-[3-[3-[3-(hydroxymethyl)piperidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenoxy]propyl]pyrrolidin-3-ol
CID 134282554
[1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]methanol
CID 60645197
[1-[3-(2-methoxyethoxy)propyl]pyrrolidin-3-yl]methanol
CID 103412015
(3S,4S)-1-[3-(2,6-dimethylphenoxy)propyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122120781
[(3S)-1-(4-phenylbutyl)pyrrolidin-3-yl]methanol
CID 129380566
[(3S)-1-(2-ethoxyethyl)pyrrolidin-3-yl]methanol
CID 129367814
1-[6-(2,6-dimethylphenoxy)hexyl]piperidine
CID 2304722

Frequently Asked Questions

What is the IUPAC name of [1-[3-(2,6-dimethylphenoxy)propyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[3-(2,6-dimethylphenoxy)propyl]pyrrolidin-3-yl]methanol (CID 111442606) is [1-[3-(2,6-dimethylphenoxy)propyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[3-(2,6-dimethylphenoxy)propyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[3-(2,6-dimethylphenoxy)propyl]pyrrolidin-3-yl]methanol is Cc1cccc(C)c1OCCCN1CCC(CO)C1.
What is the InChIKey of [1-[3-(2,6-dimethylphenoxy)propyl]pyrrolidin-3-yl]methanol?
The InChIKey is CHIMRYATILSCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13-5-3-6-14(2)16(13)19-10-4-8-17-9-7-15(11-17)12-18/h3,5-6,15,18H,4,7-12H2,1-2H3.
What are the key properties of [1-[3-(2,6-dimethylphenoxy)propyl]pyrrolidin-3-yl]methanol?
[1-[3-(2,6-dimethylphenoxy)propyl]pyrrolidin-3-yl]methanol has a molecular weight of 263.38 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2,6-dimethylphenoxy)propyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 111442606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).