2-[4-(2-methoxy-4,5-dimethylphenyl)-2-methylpyrrolidin-1-yl]ethanol

C16H25NO2 — CID 82624559

IUPAC2-[4-(2-methoxy-4,5-dimethylphenyl)-2-methylpyrrolidin-1-yl]ethanol
SMILESCOc1cc(C)c(C)cc1C1CC(C)N(CCO)C1
InChIInChI=1S/C16H25NO2/c1-11-7-15(16(19-4)8-12(11)2)14-9-13(3)17(10-14)5-6-18/h7-8,13-14,18H,5-6,9-10H2,1-4H3
InChIKeyJNHIPMABHGBAOE-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.48
Rot. Bonds4

About 2-[4-(2-methoxy-4,5-dimethylphenyl)-2-methylpyrrolidin-1-yl]ethanol

2-[4-(2-methoxy-4,5-dimethylphenyl)-2-methylpyrrolidin-1-yl]ethanol (PubChem CID 82624559) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[4-(2-methoxy-4,5-dimethylphenyl)-2-methylpyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2-methoxy-4,5-dimethylphenyl)-2-methylpyrrolidin-1-yl]ethanol
PubChem CID82624559
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[4-(2-methoxy-4,5-dimethylphenyl)-2-methylpyrrolidin-1-yl]ethanol
SMILESCOc1cc(C)c(C)cc1C1CC(C)N(CCO)C1
InChIInChI=1S/C16H25NO2/c1-11-7-15(16(19-4)8-12(11)2)14-9-13(3)17(10-14)5-6-18/h7-8,13-14,18H,5-6,9-10H2,1-4H3
InChIKeyJNHIPMABHGBAOE-UHFFFAOYSA-N
XLogP2.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-methoxy-4,5-dimethylphenyl)piperidin-1-yl]ethanamine
CID 116962841
2-[(1R)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanol
CID 26338876
2-(4-imidazo[1,2-a]pyridin-3-yl-2-methylpyrrolidin-1-yl)ethanol
CID 82622670
2-[2-methyl-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrrolidin-1-yl]ethanol
CID 82626184
4-(2-methoxy-4,5-dimethylphenyl)-N-methylcyclohexan-1-amine
CID 116962660
2-[(2R)-4-(4-amino-3-methoxyphenyl)-2-methylpiperazin-1-yl]ethanol
CID 68591948
1-ethyl-4-(2-methoxy-4,5-dimethylphenyl)-3-methylimidazolidin-2-one
CID 116983035
5-[(2,4-dimethylpyrrolidin-1-yl)methyl]-2-methoxyphenol
CID 113346191
2-(2-methoxy-4,5-dimethylphenyl)-3-methylazetidine
CID 116822126
(2S)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-methylpiperidine
CID 30982048
4-(2-methoxy-4,5-dimethylphenyl)-6-methylpiperidine-3-carboxylic acid
CID 82626536
2-(4,5-dimethoxy-2-methylphenyl)-2-fluoroethanol
CID 105424343

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxy-4,5-dimethylphenyl)-2-methylpyrrolidin-1-yl]ethanol?
The IUPAC name of 2-[4-(2-methoxy-4,5-dimethylphenyl)-2-methylpyrrolidin-1-yl]ethanol (CID 82624559) is 2-[4-(2-methoxy-4,5-dimethylphenyl)-2-methylpyrrolidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2-methoxy-4,5-dimethylphenyl)-2-methylpyrrolidin-1-yl]ethanol?
The canonical SMILES for 2-[4-(2-methoxy-4,5-dimethylphenyl)-2-methylpyrrolidin-1-yl]ethanol is COc1cc(C)c(C)cc1C1CC(C)N(CCO)C1.
What is the InChIKey of 2-[4-(2-methoxy-4,5-dimethylphenyl)-2-methylpyrrolidin-1-yl]ethanol?
The InChIKey is JNHIPMABHGBAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-7-15(16(19-4)8-12(11)2)14-9-13(3)17(10-14)5-6-18/h7-8,13-14,18H,5-6,9-10H2,1-4H3.
What are the key properties of 2-[4-(2-methoxy-4,5-dimethylphenyl)-2-methylpyrrolidin-1-yl]ethanol?
2-[4-(2-methoxy-4,5-dimethylphenyl)-2-methylpyrrolidin-1-yl]ethanol has a molecular weight of 263.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxy-4,5-dimethylphenyl)-2-methylpyrrolidin-1-yl]ethanol is sourced from PubChem (CID 82624559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).