1-[2-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine

C14H21NO — CID 75030496

IUPAC1-[2-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine
SMILESCOc1ccccc1CCN1CCCC1C
InChIInChI=1S/C14H21NO/c1-12-6-5-10-15(12)11-9-13-7-3-4-8-14(13)16-2/h3-4,7-8,12H,5-6,9-11H2,1-2H3
InChIKeyKDVUGYDZNTZESD-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.72
Rot. Bonds4

About 1-[2-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine

1-[2-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine (PubChem CID 75030496) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine
PubChem CID75030496
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-[2-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine
SMILESCOc1ccccc1CCN1CCCC1C
InChIInChI=1S/C14H21NO/c1-12-6-5-10-15(12)11-9-13-7-3-4-8-14(13)16-2/h3-4,7-8,12H,5-6,9-11H2,1-2H3
InChIKeyKDVUGYDZNTZESD-UHFFFAOYSA-N
XLogP2.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-methoxyphenyl)ethyl]-2-methylpiperazine
CID 82083206
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 111340304
[2-[2-(2-methylazepan-1-yl)ethyl]phenyl]methanamine
CID 81321986
1-[2-(2-methoxyphenyl)ethyl]piperidin-3-amine
CID 82159159
[2-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]methanamine
CID 54882055
2-[2-[2-[2-(2-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine
CID 10499737
1-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,5-diazocane
CID 106261953
5,5-diethyl-1-[2-(2-methoxyphenyl)ethyl]-2-methylpiperazine
CID 106261604
N-[[2-[2-(2-methylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 62438792
2-(2-methoxyphenyl)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 51947454
N-[2-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine
CID 113218952
1-[2-(2,5-difluorophenyl)ethyl]-2-methylpiperidine
CID 155721139

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine?
The IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine (CID 75030496) is 1-[2-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine?
The canonical SMILES for 1-[2-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine is COc1ccccc1CCN1CCCC1C.
What is the InChIKey of 1-[2-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine?
The InChIKey is KDVUGYDZNTZESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-12-6-5-10-15(12)11-9-13-7-3-4-8-14(13)16-2/h3-4,7-8,12H,5-6,9-11H2,1-2H3.
What are the key properties of 1-[2-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine?
1-[2-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine has a molecular weight of 219.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine is sourced from PubChem (CID 75030496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).