1-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-3,4-dimethylpyrrolidine-2,5-dione

C16H22N2O3 — CID 79178939

IUPAC1-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-3,4-dimethylpyrrolidine-2,5-dione
SMILESCOc1ccc(C(C)N)cc1CN1C(=O)C(C)C(C)C1=O
InChIInChI=1S/C16H22N2O3/c1-9-10(2)16(20)18(15(9)19)8-13-7-12(11(3)17)5-6-14(13)21-4/h5-7,9-11H,8,17H2,1-4H3
InChIKeyIAHIQACDVOLSSU-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.86
Rot. Bonds4

About 1-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-3,4-dimethylpyrrolidine-2,5-dione

1-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-3,4-dimethylpyrrolidine-2,5-dione (PubChem CID 79178939) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-3,4-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-3,4-dimethylpyrrolidine-2,5-dione
PubChem CID79178939
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-3,4-dimethylpyrrolidine-2,5-dione
SMILESCOc1ccc(C(C)N)cc1CN1C(=O)C(C)C(C)C1=O
InChIInChI=1S/C16H22N2O3/c1-9-10(2)16(20)18(15(9)19)8-13-7-12(11(3)17)5-6-14(13)21-4/h5-7,9-11H,8,17H2,1-4H3
InChIKeyIAHIQACDVOLSSU-UHFFFAOYSA-N
XLogP1.86
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(5-acetyl-2-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79179153
1-[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]ethanamine
CID 54927768
1-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]azepan-2-one
CID 60860741
1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanamine
CID 60860556
(1S)-1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]ethanamine
CID 93342575
1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-4-methylpiperidine-2,6-dione
CID 79497402
4-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]morpholin-3-one
CID 79467860
1-[4-methoxy-3-(3-methylbutan-2-ylsulfonylmethyl)phenyl]ethanamine
CID 107759221
1-[4-methoxy-3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenyl]ethanamine
CID 102965482
1-[4-methoxy-3-(methylsulfanylmethyl)phenyl]ethanamine
CID 64626883
1-[3-(cyclohexylsulfonylmethyl)-4-methoxyphenyl]ethanamine
CID 64673614
1-[3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-methoxyphenyl]ethanamine
CID 61424137

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-3,4-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-3,4-dimethylpyrrolidine-2,5-dione (CID 79178939) is 1-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-3,4-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-3,4-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-3,4-dimethylpyrrolidine-2,5-dione is COc1ccc(C(C)N)cc1CN1C(=O)C(C)C(C)C1=O.
What is the InChIKey of 1-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-3,4-dimethylpyrrolidine-2,5-dione?
The InChIKey is IAHIQACDVOLSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-9-10(2)16(20)18(15(9)19)8-13-7-12(11(3)17)5-6-14(13)21-4/h5-7,9-11H,8,17H2,1-4H3.
What are the key properties of 1-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-3,4-dimethylpyrrolidine-2,5-dione?
1-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-3,4-dimethylpyrrolidine-2,5-dione has a molecular weight of 290.36 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-3,4-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 79178939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).