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

C16H27N3 — CID 63605560

IUPAC2-(3-ethyl-4-methylpiperazin-1-yl)-2-(3-methylphenyl)ethanamine
SMILESCCC1CN(C(CN)c2cccc(C)c2)CCN1C
InChIInChI=1S/C16H27N3/c1-4-15-12-19(9-8-18(15)3)16(11-17)14-7-5-6-13(2)10-14/h5-7,10,15-16H,4,8-9,11-12,17H2,1-3H3
InChIKeyIOYQCNVWIJIRCA-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.02
Rot. Bonds4

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

2-(3-ethyl-4-methylpiperazin-1-yl)-2-(3-methylphenyl)ethanamine (PubChem CID 63605560) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(3-ethyl-4-methylpiperazin-1-yl)-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-ethyl-4-methylpiperazin-1-yl)-2-(3-methylphenyl)ethanamine
PubChem CID63605560
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-(3-ethyl-4-methylpiperazin-1-yl)-2-(3-methylphenyl)ethanamine
SMILESCCC1CN(C(CN)c2cccc(C)c2)CCN1C
InChIInChI=1S/C16H27N3/c1-4-15-12-19(9-8-18(15)3)16(11-17)14-7-5-6-13(2)10-14/h5-7,10,15-16H,4,8-9,11-12,17H2,1-3H3
InChIKeyIOYQCNVWIJIRCA-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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Related Compounds

2-(3-ethyl-4-methylpiperazin-1-yl)-2-(3-fluorophenyl)ethanamine
CID 63605213
2-(3-chlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 63603993
2-(3-ethylpiperidin-1-yl)-2-(3-methylphenyl)ethanamine
CID 43584386
2-(3,4-diethoxyphenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 83979576
2-(3-methylphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine
CID 113416955
2-(2-ethylmorpholin-4-yl)-2-(3-methylphenyl)ethanamine
CID 43562475
2-(3-ethyl-4-methylpiperazin-1-yl)-2-(2-fluorophenyl)ethanamine
CID 63603473
1-[2-amino-1-(3-methylphenyl)ethyl]-3-methylpiperidin-4-ol
CID 114677976
2-(2,3-dichlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 63608922
(2S)-2-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 93489665
2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(3-methylphenyl)ethanamine
CID 61440628
2-(5-chloro-2-fluorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 114843183

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-methylpiperazin-1-yl)-2-(3-methylphenyl)ethanamine?
The IUPAC name of 2-(3-ethyl-4-methylpiperazin-1-yl)-2-(3-methylphenyl)ethanamine (CID 63605560) is 2-(3-ethyl-4-methylpiperazin-1-yl)-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3-ethyl-4-methylpiperazin-1-yl)-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 2-(3-ethyl-4-methylpiperazin-1-yl)-2-(3-methylphenyl)ethanamine is CCC1CN(C(CN)c2cccc(C)c2)CCN1C.
What is the InChIKey of 2-(3-ethyl-4-methylpiperazin-1-yl)-2-(3-methylphenyl)ethanamine?
The InChIKey is IOYQCNVWIJIRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-15-12-19(9-8-18(15)3)16(11-17)14-7-5-6-13(2)10-14/h5-7,10,15-16H,4,8-9,11-12,17H2,1-3H3.
What are the key properties of 2-(3-ethyl-4-methylpiperazin-1-yl)-2-(3-methylphenyl)ethanamine?
2-(3-ethyl-4-methylpiperazin-1-yl)-2-(3-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-(3-ethyl-4-methylpiperazin-1-yl)-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 63605560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).