5-[(2,4-dimethylpyrrolidin-1-yl)methyl]-2-methoxyphenol

C14H21NO2 — CID 113346191

IUPAC5-[(2,4-dimethylpyrrolidin-1-yl)methyl]-2-methoxyphenol
SMILESCOc1ccc(CN2CC(C)CC2C)cc1O
InChIInChI=1S/C14H21NO2/c1-10-6-11(2)15(8-10)9-12-4-5-14(17-3)13(16)7-12/h4-5,7,10-11,16H,6,8-9H2,1-3H3
InChIKeyJRNIGOOVCNGNOJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.63
Rot. Bonds3

About 5-[(2,4-dimethylpyrrolidin-1-yl)methyl]-2-methoxyphenol

5-[(2,4-dimethylpyrrolidin-1-yl)methyl]-2-methoxyphenol (PubChem CID 113346191) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-[(2,4-dimethylpyrrolidin-1-yl)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[(2,4-dimethylpyrrolidin-1-yl)methyl]-2-methoxyphenol
PubChem CID113346191
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name5-[(2,4-dimethylpyrrolidin-1-yl)methyl]-2-methoxyphenol
SMILESCOc1ccc(CN2CC(C)CC2C)cc1O
InChIInChI=1S/C14H21NO2/c1-10-6-11(2)15(8-10)9-12-4-5-14(17-3)13(16)7-12/h4-5,7,10-11,16H,6,8-9H2,1-3H3
InChIKeyJRNIGOOVCNGNOJ-UHFFFAOYSA-N
XLogP2.63
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-5-[(2-methylazepan-1-yl)methyl]phenol
CID 82980366
4-[(2,4-dimethylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 106791012
5-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-methoxyphenol
CID 103440564
5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-methoxyphenol
CID 84594406
5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-2-methoxyphenol;hydrochloride
CID 120909606
2-methoxy-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]aniline
CID 114592263
[2-methoxy-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]methanamine
CID 114592331
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2-methoxyphenol
CID 82982928
(4S)-1-benzyl-2,4-dimethylpyrrolidine
CID 118651465
(2S,4R)-1-benzyl-2,4-dimethylpyrrolidine
CID 15316822
1-[(3-hydroxy-4-methoxyphenyl)methyl]azetidine-3-carboxylic acid
CID 65071834
2-methoxy-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenol
CID 82983417

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethylpyrrolidin-1-yl)methyl]-2-methoxyphenol?
The IUPAC name of 5-[(2,4-dimethylpyrrolidin-1-yl)methyl]-2-methoxyphenol (CID 113346191) is 5-[(2,4-dimethylpyrrolidin-1-yl)methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[(2,4-dimethylpyrrolidin-1-yl)methyl]-2-methoxyphenol?
The canonical SMILES for 5-[(2,4-dimethylpyrrolidin-1-yl)methyl]-2-methoxyphenol is COc1ccc(CN2CC(C)CC2C)cc1O.
What is the InChIKey of 5-[(2,4-dimethylpyrrolidin-1-yl)methyl]-2-methoxyphenol?
The InChIKey is JRNIGOOVCNGNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-6-11(2)15(8-10)9-12-4-5-14(17-3)13(16)7-12/h4-5,7,10-11,16H,6,8-9H2,1-3H3.
What are the key properties of 5-[(2,4-dimethylpyrrolidin-1-yl)methyl]-2-methoxyphenol?
5-[(2,4-dimethylpyrrolidin-1-yl)methyl]-2-methoxyphenol has a molecular weight of 235.33 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethylpyrrolidin-1-yl)methyl]-2-methoxyphenol is sourced from PubChem (CID 113346191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).