2-(2,4-dimethylpiperazin-1-yl)-2-(3-ethoxy-4-propoxyphenyl)ethanamine

C19H33N3O2 — CID 83979135

IUPAC2-(2,4-dimethylpiperazin-1-yl)-2-(3-ethoxy-4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(CN)N2CCN(C)CC2C)cc1OCC
InChIInChI=1S/C19H33N3O2/c1-5-11-24-18-8-7-16(12-19(18)23-6-2)17(13-20)22-10-9-21(4)14-15(22)3/h7-8,12,15,17H,5-6,9-11,13-14,20H2,1-4H3
InChIKeyFJNZVKZRSXNRDA-UHFFFAOYSA-N
MW335.49 g/mol
LogP2.51
Rot. Bonds8

About 2-(2,4-dimethylpiperazin-1-yl)-2-(3-ethoxy-4-propoxyphenyl)ethanamine

2-(2,4-dimethylpiperazin-1-yl)-2-(3-ethoxy-4-propoxyphenyl)ethanamine (PubChem CID 83979135) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 2-(2,4-dimethylpiperazin-1-yl)-2-(3-ethoxy-4-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,4-dimethylpiperazin-1-yl)-2-(3-ethoxy-4-propoxyphenyl)ethanamine
PubChem CID83979135
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name2-(2,4-dimethylpiperazin-1-yl)-2-(3-ethoxy-4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(CN)N2CCN(C)CC2C)cc1OCC
InChIInChI=1S/C19H33N3O2/c1-5-11-24-18-8-7-16(12-19(18)23-6-2)17(13-20)22-10-9-21(4)14-15(22)3/h7-8,12,15,17H,5-6,9-11,13-14,20H2,1-4H3
InChIKeyFJNZVKZRSXNRDA-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-(2,4-dimethylpiperazin-1-yl)-2-(4-methoxy-3-propoxyphenyl)ethanamine
CID 83979522
2-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine
CID 83979744
2-(3-chloro-4-ethoxyphenyl)-2-(4-ethyl-2-methylpiperazin-1-yl)ethanamine
CID 83979851
2-(3,4-diethoxyphenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 83979576
2-(4-butoxy-3-ethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanol
CID 112540189
2-(2-chloro-3,4-dimethoxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine
CID 83979242
2-chloro-4-[1-(2,4-dimethylpiperazin-1-yl)-2-hydroxyethyl]-6-ethoxyphenol
CID 112540464
2-(3-chloro-4-ethoxyphenyl)-2-(2-methyl-4-propylpiperazin-1-yl)ethanol
CID 112540365
2-(3-chloro-4-propan-2-yloxyphenyl)-2-(2-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 83979881
2-(3,4-dimethoxyphenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 54882022
2-(4-butoxy-3-ethoxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol
CID 83979609
2-(4-butoxy-3-ethoxyphenyl)-2-(4-methylpiperazin-1-yl)acetonitrile
CID 112540186

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpiperazin-1-yl)-2-(3-ethoxy-4-propoxyphenyl)ethanamine?
The IUPAC name of 2-(2,4-dimethylpiperazin-1-yl)-2-(3-ethoxy-4-propoxyphenyl)ethanamine (CID 83979135) is 2-(2,4-dimethylpiperazin-1-yl)-2-(3-ethoxy-4-propoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2,4-dimethylpiperazin-1-yl)-2-(3-ethoxy-4-propoxyphenyl)ethanamine?
The canonical SMILES for 2-(2,4-dimethylpiperazin-1-yl)-2-(3-ethoxy-4-propoxyphenyl)ethanamine is CCCOc1ccc(C(CN)N2CCN(C)CC2C)cc1OCC.
What is the InChIKey of 2-(2,4-dimethylpiperazin-1-yl)-2-(3-ethoxy-4-propoxyphenyl)ethanamine?
The InChIKey is FJNZVKZRSXNRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-5-11-24-18-8-7-16(12-19(18)23-6-2)17(13-20)22-10-9-21(4)14-15(22)3/h7-8,12,15,17H,5-6,9-11,13-14,20H2,1-4H3.
What are the key properties of 2-(2,4-dimethylpiperazin-1-yl)-2-(3-ethoxy-4-propoxyphenyl)ethanamine?
2-(2,4-dimethylpiperazin-1-yl)-2-(3-ethoxy-4-propoxyphenyl)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-dimethylpiperazin-1-yl)-2-(3-ethoxy-4-propoxyphenyl)ethanamine is sourced from PubChem (CID 83979135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).