[3-methyl-1-[2-(3-methylphenoxy)ethyl]pyrrolidin-2-yl]methanol

C15H23NO2 — CID 102788914

IUPAC[3-methyl-1-[2-(3-methylphenoxy)ethyl]pyrrolidin-2-yl]methanol
SMILESCc1cccc(OCCN2CCC(C)C2CO)c1
InChIInChI=1S/C15H23NO2/c1-12-4-3-5-14(10-12)18-9-8-16-7-6-13(2)15(16)11-17/h3-5,10,13,15,17H,6-9,11H2,1-2H3
InChIKeyKALRPUIELIMCKE-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.08
Rot. Bonds5

About [3-methyl-1-[2-(3-methylphenoxy)ethyl]pyrrolidin-2-yl]methanol

[3-methyl-1-[2-(3-methylphenoxy)ethyl]pyrrolidin-2-yl]methanol (PubChem CID 102788914) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [3-methyl-1-[2-(3-methylphenoxy)ethyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[2-(3-methylphenoxy)ethyl]pyrrolidin-2-yl]methanol
PubChem CID102788914
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[3-methyl-1-[2-(3-methylphenoxy)ethyl]pyrrolidin-2-yl]methanol
SMILESCc1cccc(OCCN2CCC(C)C2CO)c1
InChIInChI=1S/C15H23NO2/c1-12-4-3-5-14(10-12)18-9-8-16-7-6-13(2)15(16)11-17/h3-5,10,13,15,17H,6-9,11H2,1-2H3
InChIKeyKALRPUIELIMCKE-UHFFFAOYSA-N
XLogP2.08
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidin-2-yl]methanol
CID 102778067
[3-methyl-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-yl]methanol
CID 102788406
1-[3-(3-methylphenoxy)propyl]piperidin-4-ol
CID 39352208
[1-[2-[4-(2-aminoethyl)phenoxy]ethyl]-3-methylpyrrolidin-2-yl]methanol
CID 102778148
1-[2-(3-methylphenoxy)ethyl]piperidine-2-carboxylic acid
CID 43441222
1-methyl-4-[2-(3-methylphenoxy)ethyl]piperidine
CID 58946190
2-(chloromethyl)-3-methyl-1-(2-phenoxyethyl)pyrrolidine
CID 102784580
1-[2-(3-methylphenoxy)ethyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62273920
1-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-4-[2-(3-methylphenoxy)ethyl]piperazine
CID 56822381
[1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]methanamine;hydrochloride
CID 119915967
3-methyl-2-[2-(3-methylphenoxy)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 78992273
3-methyl-1-[3-(3-methylphenoxy)propyl]piperidine-2-carboxylic acid
CID 107072339

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[2-(3-methylphenoxy)ethyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [3-methyl-1-[2-(3-methylphenoxy)ethyl]pyrrolidin-2-yl]methanol (CID 102788914) is [3-methyl-1-[2-(3-methylphenoxy)ethyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [3-methyl-1-[2-(3-methylphenoxy)ethyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [3-methyl-1-[2-(3-methylphenoxy)ethyl]pyrrolidin-2-yl]methanol is Cc1cccc(OCCN2CCC(C)C2CO)c1.
What is the InChIKey of [3-methyl-1-[2-(3-methylphenoxy)ethyl]pyrrolidin-2-yl]methanol?
The InChIKey is KALRPUIELIMCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12-4-3-5-14(10-12)18-9-8-16-7-6-13(2)15(16)11-17/h3-5,10,13,15,17H,6-9,11H2,1-2H3.
What are the key properties of [3-methyl-1-[2-(3-methylphenoxy)ethyl]pyrrolidin-2-yl]methanol?
[3-methyl-1-[2-(3-methylphenoxy)ethyl]pyrrolidin-2-yl]methanol has a molecular weight of 249.35 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[2-(3-methylphenoxy)ethyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 102788914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).