2-(4-ethyl-3-methylpiperazin-1-yl)-2-(2,4,5-trimethoxyphenyl)ethanamine

C18H31N3O3 — CID 83979923

IUPAC2-(4-ethyl-3-methylpiperazin-1-yl)-2-(2,4,5-trimethoxyphenyl)ethanamine
SMILESCCN1CCN(C(CN)c2cc(OC)c(OC)cc2OC)CC1C
InChIInChI=1S/C18H31N3O3/c1-6-20-7-8-21(12-13(20)2)15(11-19)14-9-17(23-4)18(24-5)10-16(14)22-3/h9-10,13,15H,6-8,11-12,19H2,1-5H3
InChIKeyOJARWMRCHDCEDJ-UHFFFAOYSA-N
MW337.46 g/mol
LogP1.74
Rot. Bonds7

About 2-(4-ethyl-3-methylpiperazin-1-yl)-2-(2,4,5-trimethoxyphenyl)ethanamine

2-(4-ethyl-3-methylpiperazin-1-yl)-2-(2,4,5-trimethoxyphenyl)ethanamine (PubChem CID 83979923) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is 2-(4-ethyl-3-methylpiperazin-1-yl)-2-(2,4,5-trimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-ethyl-3-methylpiperazin-1-yl)-2-(2,4,5-trimethoxyphenyl)ethanamine
PubChem CID83979923
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Name2-(4-ethyl-3-methylpiperazin-1-yl)-2-(2,4,5-trimethoxyphenyl)ethanamine
SMILESCCN1CCN(C(CN)c2cc(OC)c(OC)cc2OC)CC1C
InChIInChI=1S/C18H31N3O3/c1-6-20-7-8-21(12-13(20)2)15(11-19)14-9-17(23-4)18(24-5)10-16(14)22-3/h9-10,13,15H,6-8,11-12,19H2,1-5H3
InChIKeyOJARWMRCHDCEDJ-UHFFFAOYSA-N
XLogP1.74
TPSA60.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethyl-3-methylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 63605596
2-(5-chloro-2-fluorophenyl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine
CID 114843181
2-(2,3-dichlorophenyl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine
CID 63610122
2-(3,4-diethylpiperazin-1-yl)-2-(4-ethoxy-3-methoxyphenyl)ethanamine
CID 83979259
2-(4-ethyl-3-methylpiperazin-1-yl)-2-(3-fluorophenyl)ethanamine
CID 63605201
2-(4,5-dibromothiophen-2-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine
CID 102839249
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine
CID 102839252
2-(5-bromothiophen-2-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine
CID 63603804
2-(5-chlorothiophen-2-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine
CID 63603631
2-(2,5-dimethoxyphenyl)-2-(4-ethyl-3-methylpiperazin-1-yl)acetonitrile
CID 112539850
2-(3-methoxyphenyl)-2-(3-methyl-4-propylpiperazin-1-yl)ethanamine
CID 83978033
2-(3,4-diethylpiperazin-1-yl)-2-(2-ethoxyphenyl)ethanamine
CID 83979077

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3-methylpiperazin-1-yl)-2-(2,4,5-trimethoxyphenyl)ethanamine?
The IUPAC name of 2-(4-ethyl-3-methylpiperazin-1-yl)-2-(2,4,5-trimethoxyphenyl)ethanamine (CID 83979923) is 2-(4-ethyl-3-methylpiperazin-1-yl)-2-(2,4,5-trimethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(4-ethyl-3-methylpiperazin-1-yl)-2-(2,4,5-trimethoxyphenyl)ethanamine?
The canonical SMILES for 2-(4-ethyl-3-methylpiperazin-1-yl)-2-(2,4,5-trimethoxyphenyl)ethanamine is CCN1CCN(C(CN)c2cc(OC)c(OC)cc2OC)CC1C.
What is the InChIKey of 2-(4-ethyl-3-methylpiperazin-1-yl)-2-(2,4,5-trimethoxyphenyl)ethanamine?
The InChIKey is OJARWMRCHDCEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-6-20-7-8-21(12-13(20)2)15(11-19)14-9-17(23-4)18(24-5)10-16(14)22-3/h9-10,13,15H,6-8,11-12,19H2,1-5H3.
What are the key properties of 2-(4-ethyl-3-methylpiperazin-1-yl)-2-(2,4,5-trimethoxyphenyl)ethanamine?
2-(4-ethyl-3-methylpiperazin-1-yl)-2-(2,4,5-trimethoxyphenyl)ethanamine has a molecular weight of 337.46 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3-methylpiperazin-1-yl)-2-(2,4,5-trimethoxyphenyl)ethanamine is sourced from PubChem (CID 83979923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).