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

C16H27N3 — CID 55215794

IUPAC2-(3,4-dimethylpiperazin-1-yl)-N-methyl-1-(3-methylphenyl)ethanamine
SMILESCNC(CN1CCN(C)C(C)C1)c1cccc(C)c1
InChIInChI=1S/C16H27N3/c1-13-6-5-7-15(10-13)16(17-3)12-19-9-8-18(4)14(2)11-19/h5-7,10,14,16-17H,8-9,11-12H2,1-4H3
InChIKeyLMWOGUGIWHRBGZ-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.89
Rot. Bonds4

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

2-(3,4-dimethylpiperazin-1-yl)-N-methyl-1-(3-methylphenyl)ethanamine (PubChem CID 55215794) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(3,4-dimethylpiperazin-1-yl)-N-methyl-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylpiperazin-1-yl)-N-methyl-1-(3-methylphenyl)ethanamine
PubChem CID55215794
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-(3,4-dimethylpiperazin-1-yl)-N-methyl-1-(3-methylphenyl)ethanamine
SMILESCNC(CN1CCN(C)C(C)C1)c1cccc(C)c1
InChIInChI=1S/C16H27N3/c1-13-6-5-7-15(10-13)16(17-3)12-19-9-8-18(4)14(2)11-19/h5-7,10,14,16-17H,8-9,11-12H2,1-4H3
InChIKeyLMWOGUGIWHRBGZ-UHFFFAOYSA-N
XLogP1.89
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(3-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 20735110
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-methyl-1-(3-methylphenyl)ethanamine
CID 63149736
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-methyl-1-(3-methylphenyl)ethanamine
CID 115559669
2-(3-ethyl-4-methylpiperazin-1-yl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 63611052
N-methyl-1-(3-methylphenyl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanamine
CID 102743532
N-methyl-1-(4-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537734
tert-butyl-hydroxy-dimethylsilane;(1S)-N-methyl-1-(3-methylphenyl)-2-pyrrolidin-1-ylethanamine;sulfane
CID 161283631
1-(4-bromophenyl)-3-(3,4-dimethylpiperazin-1-yl)-N-methylpropan-1-amine
CID 63635314
N-methyl-1-(3-methylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 83052318
N-methyl-1-(3-methylphenyl)-2-(1-methylpiperazin-2-yl)ethanamine
CID 116956962
2-cycloheptyl-N-methyl-1-(3-methylphenyl)ethanamine
CID 115789919
[6-methyl-4-[3-(methylamino)-3-(3-methylphenyl)propyl]morpholin-2-yl]methanol
CID 102936392

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpiperazin-1-yl)-N-methyl-1-(3-methylphenyl)ethanamine?
The IUPAC name of 2-(3,4-dimethylpiperazin-1-yl)-N-methyl-1-(3-methylphenyl)ethanamine (CID 55215794) is 2-(3,4-dimethylpiperazin-1-yl)-N-methyl-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethylpiperazin-1-yl)-N-methyl-1-(3-methylphenyl)ethanamine?
The canonical SMILES for 2-(3,4-dimethylpiperazin-1-yl)-N-methyl-1-(3-methylphenyl)ethanamine is CNC(CN1CCN(C)C(C)C1)c1cccc(C)c1.
What is the InChIKey of 2-(3,4-dimethylpiperazin-1-yl)-N-methyl-1-(3-methylphenyl)ethanamine?
The InChIKey is LMWOGUGIWHRBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-13-6-5-7-15(10-13)16(17-3)12-19-9-8-18(4)14(2)11-19/h5-7,10,14,16-17H,8-9,11-12H2,1-4H3.
What are the key properties of 2-(3,4-dimethylpiperazin-1-yl)-N-methyl-1-(3-methylphenyl)ethanamine?
2-(3,4-dimethylpiperazin-1-yl)-N-methyl-1-(3-methylphenyl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpiperazin-1-yl)-N-methyl-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 55215794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).