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

C19H33N3O2 — CID 83979822

IUPAC2-(2,4-diethoxyphenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
SMILESCCOc1ccc(C(CN)N2CCN(C)C(CC)C2)c(OCC)c1
InChIInChI=1S/C19H33N3O2/c1-5-15-14-22(11-10-21(15)4)18(13-20)17-9-8-16(23-6-2)12-19(17)24-7-3/h8-9,12,15,18H,5-7,10-11,13-14,20H2,1-4H3
InChIKeyMMJBPAULCMDOFN-UHFFFAOYSA-N
MW335.49 g/mol
LogP2.51
Rot. Bonds8

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

2-(2,4-diethoxyphenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine (PubChem CID 83979822) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 2-(2,4-diethoxyphenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2,4-diethoxyphenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
PubChem CID83979822
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name2-(2,4-diethoxyphenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
SMILESCCOc1ccc(C(CN)N2CCN(C)C(CC)C2)c(OCC)c1
InChIInChI=1S/C19H33N3O2/c1-5-15-14-22(11-10-21(15)4)18(13-20)17-9-8-16(23-6-2)12-19(17)24-7-3/h8-9,12,15,18H,5-7,10-11,13-14,20H2,1-4H3
InChIKeyMMJBPAULCMDOFN-UHFFFAOYSA-N
XLogP2.51
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-diethoxyphenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 83979576
2-(5-chloro-2-fluorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 114843183
2-(3-ethyl-4-methylpiperazin-1-yl)-2-(2-fluorophenyl)ethanamine
CID 63603473
2-(3,4-diethylpiperazin-1-yl)-2-(2-ethoxyphenyl)ethanamine
CID 83979077
2-(2,3-dichlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 63608922
2-(3-ethyl-4-methylpiperazin-1-yl)-2-(3-fluorophenyl)ethanamine
CID 63605213
2-(1,5-dimethylpyrazol-4-yl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 79584620
2-(3-ethyl-4-methylpiperazin-1-yl)-2-(3-methylphenyl)ethanamine
CID 63605560
2-(3,4-dimethylpiperazin-1-yl)-2-(3-ethoxyphenyl)ethanamine
CID 63605407
2-(2,4-diethoxyphenyl)-2-(3,4-dimethylpiperazin-1-yl)acetonitrile
CID 112540328
2-(3-chlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 63603993
2-(2-ethoxyphenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)acetonitrile
CID 112539891

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-diethoxyphenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(2,4-diethoxyphenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine (CID 83979822) is 2-(2,4-diethoxyphenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(2,4-diethoxyphenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(2,4-diethoxyphenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine is CCOc1ccc(C(CN)N2CCN(C)C(CC)C2)c(OCC)c1.
What is the InChIKey of 2-(2,4-diethoxyphenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine?
The InChIKey is MMJBPAULCMDOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-5-15-14-22(11-10-21(15)4)18(13-20)17-9-8-16(23-6-2)12-19(17)24-7-3/h8-9,12,15,18H,5-7,10-11,13-14,20H2,1-4H3.
What are the key properties of 2-(2,4-diethoxyphenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine?
2-(2,4-diethoxyphenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine has a molecular weight of 335.49 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-diethoxyphenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 83979822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).