2-(3,4-dimethylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine

C16H26N2 — CID 79188424

IUPAC2-(3,4-dimethylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine
SMILESCNC(CN1CC(C)C(C)C1)c1ccc(C)cc1
InChIInChI=1S/C16H26N2/c1-12-5-7-15(8-6-12)16(17-4)11-18-9-13(2)14(3)10-18/h5-8,13-14,16-17H,9-11H2,1-4H3
InChIKeyYWVDIOFLVKECNP-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.84
Rot. Bonds4

About 2-(3,4-dimethylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine

2-(3,4-dimethylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine (PubChem CID 79188424) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-(3,4-dimethylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine
PubChem CID79188424
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-(3,4-dimethylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine
SMILESCNC(CN1CC(C)C(C)C1)c1ccc(C)cc1
InChIInChI=1S/C16H26N2/c1-12-5-7-15(8-6-12)16(17-4)11-18-9-13(2)14(3)10-18/h5-8,13-14,16-17H,9-11H2,1-4H3
InChIKeyYWVDIOFLVKECNP-UHFFFAOYSA-N
XLogP2.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(4-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537734
N-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 19439989
N-methyl-1-(4-methylphenyl)-2-piperazin-1-ylethanamine
CID 116954879
2-(3,5-dimethylpiperidin-1-yl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 63467078
2-(3,4-dimethylpyrrolidin-1-yl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 79188328
N-methyl-1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 62617685
2-(2,4-dimethylpiperidin-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 62331775
1-[2-(methylamino)-2-(4-methylphenyl)ethyl]-4-propan-2-ylpyrrolidin-2-one
CID 104511502
1-[2-(2,5-dimethylphenyl)-2-(methylamino)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81452259
3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 83221696
N-methyl-3-(4-methylazepan-1-yl)-1-(4-methylphenyl)propan-1-amine
CID 63622479
(1S)-2-fluoro-N-methyl-1-(4-methylphenyl)ethanamine
CID 90212789

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine?
The IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine (CID 79188424) is 2-(3,4-dimethylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine?
The canonical SMILES for 2-(3,4-dimethylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine is CNC(CN1CC(C)C(C)C1)c1ccc(C)cc1.
What is the InChIKey of 2-(3,4-dimethylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine?
The InChIKey is YWVDIOFLVKECNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-5-7-15(8-6-12)16(17-4)11-18-9-13(2)14(3)10-18/h5-8,13-14,16-17H,9-11H2,1-4H3.
What are the key properties of 2-(3,4-dimethylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine?
2-(3,4-dimethylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine has a molecular weight of 246.40 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 79188424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).