1-methyl-3-[(4-methylphenoxy)methyl]pyrrolidin-3-ol

C13H19NO2 — CID 171758962

IUPAC1-methyl-3-[(4-methylphenoxy)methyl]pyrrolidin-3-ol
SMILESCc1ccc(OCC2(O)CCN(C)C2)cc1
InChIInChI=1S/C13H19NO2/c1-11-3-5-12(6-4-11)16-10-13(15)7-8-14(2)9-13/h3-6,15H,7-10H2,1-2H3
InChIKeyWFOVFSSUQODVPJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.44
Rot. Bonds3

About 1-methyl-3-[(4-methylphenoxy)methyl]pyrrolidin-3-ol

1-methyl-3-[(4-methylphenoxy)methyl]pyrrolidin-3-ol (PubChem CID 171758962) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-methyl-3-[(4-methylphenoxy)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-methyl-3-[(4-methylphenoxy)methyl]pyrrolidin-3-ol
PubChem CID171758962
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-methyl-3-[(4-methylphenoxy)methyl]pyrrolidin-3-ol
SMILESCc1ccc(OCC2(O)CCN(C)C2)cc1
InChIInChI=1S/C13H19NO2/c1-11-3-5-12(6-4-11)16-10-13(15)7-8-14(2)9-13/h3-6,15H,7-10H2,1-2H3
InChIKeyWFOVFSSUQODVPJ-UHFFFAOYSA-N
XLogP1.44
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-hydroxyethyl)-6-[(4-methylphenoxy)methyl]-1,4-oxazepan-6-ol
CID 132775657
2-[3-hydroxy-3-[(4-methylphenoxy)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone
CID 132764303
(2-cyclopropylpyrimidin-5-yl)-[3-hydroxy-3-[(4-methylphenoxy)methyl]pyrrolidin-1-yl]methanone
CID 132764912
3-[(2,5-dimethylphenyl)methyl]-1-methylpyrrolidin-3-ol
CID 62977270
3-[6-hydroxy-6-[(4-methylphenoxy)methyl]-1,4-oxazepan-4-yl]propanamide
CID 132948175
3-(ethoxymethyl)-1-methylpyrrolidin-3-ol
CID 79567375
3-[(2-methoxy-5-methylphenyl)methyl]-1-methylpyrrolidin-3-ol
CID 55140625
1-[3-hydroxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 132765130
4-[[1-(2-fluorophenyl)-4-hydroxypiperidin-4-yl]methyl]-6-[(4-methylphenoxy)methyl]-1,4-oxazepan-6-ol
CID 132767145
1-methyl-3-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-3-ol
CID 62977084
(3S)-3-ethyl-1-methylpyrrolidin-3-ol
CID 166166966
(3S,4S)-1-[(4-hydroxyoxan-4-yl)methyl]-3-[(4-methylphenoxy)methyl]piperidine-3,4-diol
CID 155993826

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(4-methylphenoxy)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-methyl-3-[(4-methylphenoxy)methyl]pyrrolidin-3-ol (CID 171758962) is 1-methyl-3-[(4-methylphenoxy)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-methyl-3-[(4-methylphenoxy)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-methyl-3-[(4-methylphenoxy)methyl]pyrrolidin-3-ol is Cc1ccc(OCC2(O)CCN(C)C2)cc1.
What is the InChIKey of 1-methyl-3-[(4-methylphenoxy)methyl]pyrrolidin-3-ol?
The InChIKey is WFOVFSSUQODVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-11-3-5-12(6-4-11)16-10-13(15)7-8-14(2)9-13/h3-6,15H,7-10H2,1-2H3.
What are the key properties of 1-methyl-3-[(4-methylphenoxy)methyl]pyrrolidin-3-ol?
1-methyl-3-[(4-methylphenoxy)methyl]pyrrolidin-3-ol has a molecular weight of 221.30 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(4-methylphenoxy)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 171758962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).