3-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-3-ol

C13H19NO2 — CID 83691069

IUPAC3-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-3-ol
SMILESCOc1ccc(CC2(O)CCNC2)cc1C
InChIInChI=1S/C13H19NO2/c1-10-7-11(3-4-12(10)16-2)8-13(15)5-6-14-9-13/h3-4,7,14-15H,5-6,8-9H2,1-2H3
InChIKeyRPGAZYOZEKXRDB-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.27
Rot. Bonds3

About 3-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-3-ol

3-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-3-ol (PubChem CID 83691069) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-3-ol
PubChem CID83691069
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-3-ol
SMILESCOc1ccc(CC2(O)CCNC2)cc1C
InChIInChI=1S/C13H19NO2/c1-10-7-11(3-4-12(10)16-2)8-13(15)5-6-14-9-13/h3-4,7,14-15H,5-6,8-9H2,1-2H3
InChIKeyRPGAZYOZEKXRDB-UHFFFAOYSA-N
XLogP1.27
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,4-difluorophenyl)methyl]pyrrolidin-3-ol
CID 82920758
1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride
CID 120899620
3-[(4-ethoxyphenyl)methyl]pyrrolidin-3-ol
CID 83691018
[1-[(4-methoxy-3-methylphenyl)methyl]cyclopropyl]methanamine
CID 82283087
1-[(3,4-dimethylphenyl)methyl]cyclopropan-1-ol
CID 62669689
1-[(4-methoxy-3-methylphenyl)methyl]-2,2-dimethylpiperazine
CID 65463120
3-benzylpyrrolidin-3-ol;hydrochloride
CID 122508012
3-[(4-methylphenyl)methyl]piperidin-3-ol
CID 63588493
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-methoxy-N,5-dimethylbenzamide
CID 114760445
1-[2-(4-methoxy-3-methylphenyl)ethyl]-2,2-dimethylpiperazine
CID 82302915
N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methoxy-N,4-dimethylbenzamide
CID 114760467
2-(3,4-dimethylphenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylacetamide
CID 114760433

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-3-ol?
The IUPAC name of 3-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-3-ol (CID 83691069) is 3-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-3-ol is COc1ccc(CC2(O)CCNC2)cc1C.
What is the InChIKey of 3-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-3-ol?
The InChIKey is RPGAZYOZEKXRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-7-11(3-4-12(10)16-2)8-13(15)5-6-14-9-13/h3-4,7,14-15H,5-6,8-9H2,1-2H3.
What are the key properties of 3-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-3-ol?
3-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-3-ol has a molecular weight of 221.30 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 83691069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).