1-(2,4-dimethylphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylethanamine

C18H30N2 — CID 83227091

IUPAC1-(2,4-dimethylphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylethanamine
SMILESCCC1CCC(C)N1CC(NC)c1ccc(C)cc1C
InChIInChI=1S/C18H30N2/c1-6-16-9-8-15(4)20(16)12-18(19-5)17-10-7-13(2)11-14(17)3/h7,10-11,15-16,18-19H,6,8-9,12H2,1-5H3
InChIKeyVQKQNMNZZTZTSW-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.83
Rot. Bonds5

About 1-(2,4-dimethylphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylethanamine

1-(2,4-dimethylphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylethanamine (PubChem CID 83227091) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylethanamine
PubChem CID83227091
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-(2,4-dimethylphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylethanamine
SMILESCCC1CCC(C)N1CC(NC)c1ccc(C)cc1C
InChIInChI=1S/C18H30N2/c1-6-16-9-8-15(4)20(16)12-18(19-5)17-10-7-13(2)11-14(17)3/h7,10-11,15-16,18-19H,6,8-9,12H2,1-5H3
InChIKeyVQKQNMNZZTZTSW-UHFFFAOYSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 83219344
3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 83221696
2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-propylphenyl)ethanamine
CID 83219356
N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 83219322
1-(2,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]-N-methylethanamine
CID 63972298
1-(2,4-dimethylphenyl)-2-(2,6-dimethylpiperidin-1-yl)ethanamine
CID 43098495
2-(2,6-dimethylpiperidin-1-yl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 63467280
3-cyclopentyl-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine
CID 43482676
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)ethanol
CID 83136214
3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-phenylpropan-1-amine
CID 83222009
1-[2-(2,4-dimethylphenyl)-2-(methylamino)ethyl]-4-methylpiperazine-2,5-dione
CID 79936977
1-(2,4-dimethylphenyl)-N,N'-dimethyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine
CID 63468718

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylethanamine (CID 83227091) is 1-(2,4-dimethylphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylethanamine is CCC1CCC(C)N1CC(NC)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylethanamine?
The InChIKey is VQKQNMNZZTZTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-6-16-9-8-15(4)20(16)12-18(19-5)17-10-7-13(2)11-14(17)3/h7,10-11,15-16,18-19H,6,8-9,12H2,1-5H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylethanamine?
1-(2,4-dimethylphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylethanamine has a molecular weight of 274.45 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylethanamine is sourced from PubChem (CID 83227091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).