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

C17H29N3 — CID 79658770

IUPAC2-(2,5-dimethylphenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
SMILESCNC(Cc1cc(C)ccc1C)C1CN(C)CCN1C
InChIInChI=1S/C17H29N3/c1-13-6-7-14(2)15(10-13)11-16(18-3)17-12-19(4)8-9-20(17)5/h6-7,10,16-18H,8-9,11-12H2,1-5H3
InChIKeyFMODLDTZNOWASH-UHFFFAOYSA-N
MW275.44 g/mol
LogP1.68
Rot. Bonds4

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

2-(2,5-dimethylphenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine (PubChem CID 79658770) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
PubChem CID79658770
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-(2,5-dimethylphenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
SMILESCNC(Cc1cc(C)ccc1C)C1CN(C)CCN1C
InChIInChI=1S/C17H29N3/c1-13-6-7-14(2)15(10-13)11-16(18-3)17-12-19(4)8-9-20(17)5/h6-7,10,16-18H,8-9,11-12H2,1-5H3
InChIKeyFMODLDTZNOWASH-UHFFFAOYSA-N
XLogP1.68
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 103048909
[1-(1,4-dimethylpiperazin-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]hydrazine
CID 105247353
2-(3,4-dichlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79658687
1-(1,4-dimethylpiperazin-2-yl)-N-methyl-2-thiophen-2-ylethanamine
CID 79658844
2-(3-bromophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79659510
2-(3-chloro-4-pyridinyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79658432
2-(3-bromo-4-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79658598
1-cyclobutyl-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 62539513
N-[(2,5-dimethylphenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63899121
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79659017
2-(3-bromo-4-methoxyphenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79664162
2-(1,3-diethylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79664163

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine?
The IUPAC name of 2-(2,5-dimethylphenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine (CID 79658770) is 2-(2,5-dimethylphenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine is CNC(Cc1cc(C)ccc1C)C1CN(C)CCN1C.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine?
The InChIKey is FMODLDTZNOWASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-13-6-7-14(2)15(10-13)11-16(18-3)17-12-19(4)8-9-20(17)5/h6-7,10,16-18H,8-9,11-12H2,1-5H3.
What are the key properties of 2-(2,5-dimethylphenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine?
2-(2,5-dimethylphenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine has a molecular weight of 275.44 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine is sourced from PubChem (CID 79658770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).