3-[2-[(2-methoxyethylamino)methyl]-6-methylphenoxy]-1-methylpyrrolidin-2-one

C16H24N2O3 — CID 115954451

IUPAC3-[2-[(2-methoxyethylamino)methyl]-6-methylphenoxy]-1-methylpyrrolidin-2-one
SMILESCOCCNCc1cccc(C)c1OC1CCN(C)C1=O
InChIInChI=1S/C16H24N2O3/c1-12-5-4-6-13(11-17-8-10-20-3)15(12)21-14-7-9-18(2)16(14)19/h4-6,14,17H,7-11H2,1-3H3
InChIKeyAKZAKWHYUOIELA-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.34
Rot. Bonds7

About 3-[2-[(2-methoxyethylamino)methyl]-6-methylphenoxy]-1-methylpyrrolidin-2-one

3-[2-[(2-methoxyethylamino)methyl]-6-methylphenoxy]-1-methylpyrrolidin-2-one (PubChem CID 115954451) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[2-[(2-methoxyethylamino)methyl]-6-methylphenoxy]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[2-[(2-methoxyethylamino)methyl]-6-methylphenoxy]-1-methylpyrrolidin-2-one
PubChem CID115954451
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-[2-[(2-methoxyethylamino)methyl]-6-methylphenoxy]-1-methylpyrrolidin-2-one
SMILESCOCCNCc1cccc(C)c1OC1CCN(C)C1=O
InChIInChI=1S/C16H24N2O3/c1-12-5-4-6-13(11-17-8-10-20-3)15(12)21-14-7-9-18(2)16(14)19/h4-6,14,17H,7-11H2,1-3H3
InChIKeyAKZAKWHYUOIELA-UHFFFAOYSA-N
XLogP1.34
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(2-cyclopropylethoxy)-3-methylphenyl]methyl]-2-methoxyethanamine
CID 112610300
2-methoxy-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]ethanamine
CID 114471739
2-methoxy-N-[(3-methyl-2-phenylmethoxyphenyl)methyl]ethanamine
CID 112610278
2-methoxy-N-[[3-methyl-2-(2-methylsulfanylethoxy)phenyl]methyl]ethanamine
CID 113473481
N'-[(2,3-dimethylphenyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 113405496
N-[[2-[(E)-but-2-enoxy]-3-methylphenyl]methyl]-2-methoxyethanamine
CID 112610273
3-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-1-methylpyrrolidin-2-one
CID 112619765
2-methoxy-N-[[3-methyl-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 107041629
1-methyl-3-naphthalen-1-yloxypyrrolidin-2-one
CID 64763861
N-[[2-(4-ethylcyclohexyl)oxy-3-methylphenyl]methyl]ethanamine
CID 115952728
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17295657
N-[(3-chloro-2-methoxyphenyl)methyl]-2-methoxyethanamine
CID 112610577

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-methoxyethylamino)methyl]-6-methylphenoxy]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[2-[(2-methoxyethylamino)methyl]-6-methylphenoxy]-1-methylpyrrolidin-2-one (CID 115954451) is 3-[2-[(2-methoxyethylamino)methyl]-6-methylphenoxy]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[2-[(2-methoxyethylamino)methyl]-6-methylphenoxy]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[2-[(2-methoxyethylamino)methyl]-6-methylphenoxy]-1-methylpyrrolidin-2-one is COCCNCc1cccc(C)c1OC1CCN(C)C1=O.
What is the InChIKey of 3-[2-[(2-methoxyethylamino)methyl]-6-methylphenoxy]-1-methylpyrrolidin-2-one?
The InChIKey is AKZAKWHYUOIELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12-5-4-6-13(11-17-8-10-20-3)15(12)21-14-7-9-18(2)16(14)19/h4-6,14,17H,7-11H2,1-3H3.
What are the key properties of 3-[2-[(2-methoxyethylamino)methyl]-6-methylphenoxy]-1-methylpyrrolidin-2-one?
3-[2-[(2-methoxyethylamino)methyl]-6-methylphenoxy]-1-methylpyrrolidin-2-one has a molecular weight of 292.38 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-methoxyethylamino)methyl]-6-methylphenoxy]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 115954451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).