2-(2,4-dimethoxyphenyl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine

C16H27N3O2 — CID 22692561

IUPAC2-(2,4-dimethoxyphenyl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCNCC(c1ccc(OC)cc1OC)N1CCN(C)CC1
InChIInChI=1S/C16H27N3O2/c1-17-12-15(19-9-7-18(2)8-10-19)14-6-5-13(20-3)11-16(14)21-4/h5-6,11,15,17H,7-10,12H2,1-4H3
InChIKeyFYWALOMRNBLLCX-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.21
Rot. Bonds6

About 2-(2,4-dimethoxyphenyl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine

2-(2,4-dimethoxyphenyl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine (PubChem CID 22692561) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine
PubChem CID22692561
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-(2,4-dimethoxyphenyl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCNCC(c1ccc(OC)cc1OC)N1CCN(C)CC1
InChIInChI=1S/C16H27N3O2/c1-17-12-15(19-9-7-18(2)8-10-19)14-6-5-13(20-3)11-16(14)21-4/h5-6,11,15,17H,7-10,12H2,1-4H3
InChIKeyFYWALOMRNBLLCX-UHFFFAOYSA-N
XLogP1.21
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dimethoxyphenyl)-2-morpholin-4-ylethanamine
CID 16642914
1-[(1R)-1-(2,4-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171274756
1-[(1S)-1-(2,4-dimethoxyphenyl)-3-methylbutyl]piperazine
CID 95493723
2,4-dimethoxy-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide
CID 16932959
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
2,5-dimethoxy-N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 18578235
1-(2-chloroethyl)-4-[1-(2,4-dimethoxyphenyl)ethyl]piperazine
CID 4741631
1-[(1S)-1-(2,4-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171163322
1-(2,4-dimethoxyphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 116945878
2-(2,3-dichlorophenyl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine
CID 22692567
(3S)-3-(2,4-dimethoxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171305890
3-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 64526958

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine (CID 22692561) is 2-(2,4-dimethoxyphenyl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine is CNCC(c1ccc(OC)cc1OC)N1CCN(C)CC1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine?
The InChIKey is FYWALOMRNBLLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-17-12-15(19-9-7-18(2)8-10-19)14-6-5-13(20-3)11-16(14)21-4/h5-6,11,15,17H,7-10,12H2,1-4H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine?
2-(2,4-dimethoxyphenyl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine has a molecular weight of 293.41 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 22692561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).