2-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-methylphenyl)ethanamine

C16H27N3 — CID 63611043

IUPAC2-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-methylphenyl)ethanamine
SMILESCCN1CCN(CC(N)c2ccccc2C)CC1C
InChIInChI=1S/C16H27N3/c1-4-19-10-9-18(11-14(19)3)12-16(17)15-8-6-5-7-13(15)2/h5-8,14,16H,4,9-12,17H2,1-3H3
InChIKeyAYRJFWGGLHPMNI-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.02
Rot. Bonds4

About 2-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-methylphenyl)ethanamine

2-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-methylphenyl)ethanamine (PubChem CID 63611043) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-methylphenyl)ethanamine
PubChem CID63611043
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-methylphenyl)ethanamine
SMILESCCN1CCN(CC(N)c2ccccc2C)CC1C
InChIInChI=1S/C16H27N3/c1-4-19-10-9-18(11-14(19)3)12-16(17)15-8-6-5-7-13(15)2/h5-8,14,16H,4,9-12,17H2,1-3H3
InChIKeyAYRJFWGGLHPMNI-UHFFFAOYSA-N
XLogP2.02
TPSA32.50 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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-methylphenyl)ethanamine?
The IUPAC name of 2-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-methylphenyl)ethanamine (CID 63611043) is 2-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-methylphenyl)ethanamine?
The canonical SMILES for 2-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-methylphenyl)ethanamine is CCN1CCN(CC(N)c2ccccc2C)CC1C.
What is the InChIKey of 2-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-methylphenyl)ethanamine?
The InChIKey is AYRJFWGGLHPMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-19-10-9-18(11-14(19)3)12-16(17)15-8-6-5-7-13(15)2/h5-8,14,16H,4,9-12,17H2,1-3H3.
What are the key properties of 2-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-methylphenyl)ethanamine?
2-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-methylphenyl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 63611043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).