2-(4-methylpiperazin-2-yl)-1-(2,3,4-trimethylphenyl)ethanamine

C16H27N3 — CID 116941716

IUPAC2-(4-methylpiperazin-2-yl)-1-(2,3,4-trimethylphenyl)ethanamine
SMILESCc1ccc(C(N)CC2CN(C)CCN2)c(C)c1C
InChIInChI=1S/C16H27N3/c1-11-5-6-15(13(3)12(11)2)16(17)9-14-10-19(4)8-7-18-14/h5-6,14,16,18H,7-10,17H2,1-4H3
InChIKeyLZQSCZGLMBBLID-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.91
Rot. Bonds3

About 2-(4-methylpiperazin-2-yl)-1-(2,3,4-trimethylphenyl)ethanamine

2-(4-methylpiperazin-2-yl)-1-(2,3,4-trimethylphenyl)ethanamine (PubChem CID 116941716) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(4-methylpiperazin-2-yl)-1-(2,3,4-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-methylpiperazin-2-yl)-1-(2,3,4-trimethylphenyl)ethanamine
PubChem CID116941716
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-(4-methylpiperazin-2-yl)-1-(2,3,4-trimethylphenyl)ethanamine
SMILESCc1ccc(C(N)CC2CN(C)CCN2)c(C)c1C
InChIInChI=1S/C16H27N3/c1-11-5-6-15(13(3)12(11)2)16(17)9-14-10-19(4)8-7-18-14/h5-6,14,16,18H,7-10,17H2,1-4H3
InChIKeyLZQSCZGLMBBLID-UHFFFAOYSA-N
XLogP1.91
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methylfuran-2-yl)-2-(4-methylpiperazin-2-yl)ethanamine
CID 116941714
2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine
CID 116936522
1-(4-methylpiperazin-2-yl)-N-[(2,3,4-trimethylphenyl)methyl]methanamine
CID 115238690
2-piperidin-3-yl-1-(2,3,4-trimethylphenyl)ethanamine
CID 116936414
1-(3,4-dimethylphenyl)-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine
CID 116956897
3-[(5-chloro-2-methylphenyl)methyl]-1-methylpiperazine
CID 82292400
3-[amino-(2,3,4-trimethylphenyl)methyl]cyclobutan-1-amine
CID 116937424
1-(2,3,4-trimethylphenyl)ethane-1,2-diamine
CID 116855521
(4-methoxy-2,3-dimethylphenyl)-(4-methylpiperazin-2-yl)methanamine
CID 116941397
3-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine
CID 82285679
2-amino-2-(2,3,4-trimethylphenyl)ethanethiol
CID 116830565
1-(4-methoxy-2,3-dimethylphenyl)-2-morpholin-3-ylethanamine
CID 116941505

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-2-yl)-1-(2,3,4-trimethylphenyl)ethanamine?
The IUPAC name of 2-(4-methylpiperazin-2-yl)-1-(2,3,4-trimethylphenyl)ethanamine (CID 116941716) is 2-(4-methylpiperazin-2-yl)-1-(2,3,4-trimethylphenyl)ethanamine.
What is the SMILES notation for 2-(4-methylpiperazin-2-yl)-1-(2,3,4-trimethylphenyl)ethanamine?
The canonical SMILES for 2-(4-methylpiperazin-2-yl)-1-(2,3,4-trimethylphenyl)ethanamine is Cc1ccc(C(N)CC2CN(C)CCN2)c(C)c1C.
What is the InChIKey of 2-(4-methylpiperazin-2-yl)-1-(2,3,4-trimethylphenyl)ethanamine?
The InChIKey is LZQSCZGLMBBLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-11-5-6-15(13(3)12(11)2)16(17)9-14-10-19(4)8-7-18-14/h5-6,14,16,18H,7-10,17H2,1-4H3.
What are the key properties of 2-(4-methylpiperazin-2-yl)-1-(2,3,4-trimethylphenyl)ethanamine?
2-(4-methylpiperazin-2-yl)-1-(2,3,4-trimethylphenyl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-2-yl)-1-(2,3,4-trimethylphenyl)ethanamine is sourced from PubChem (CID 116941716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).