2-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine

C17H28ClN3O2 — CID 83979744

IUPAC2-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine
SMILESCCOc1cc(C(CN)N2CCN(C)CC2C)cc(Cl)c1OC
InChIInChI=1S/C17H28ClN3O2/c1-5-23-16-9-13(8-14(18)17(16)22-4)15(10-19)21-7-6-20(3)11-12(21)2/h8-9,12,15H,5-7,10-11,19H2,1-4H3
InChIKeyZPLJGAZITUQSHV-UHFFFAOYSA-N
MW341.88 g/mol
LogP2.38
Rot. Bonds6

About 2-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine

2-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine (PubChem CID 83979744) has the molecular formula C17H28ClN3O2 and a molecular weight of 341.88 g/mol. Its IUPAC name is 2-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine
PubChem CID83979744
Molecular FormulaC17H28ClN3O2
Molecular Weight341.88 g/mol
Exact Mass341.19
IUPAC Name2-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine
SMILESCCOc1cc(C(CN)N2CCN(C)CC2C)cc(Cl)c1OC
InChIInChI=1S/C17H28ClN3O2/c1-5-23-16-9-13(8-14(18)17(16)22-4)15(10-19)21-7-6-20(3)11-12(21)2/h8-9,12,15H,5-7,10-11,19H2,1-4H3
InChIKeyZPLJGAZITUQSHV-UHFFFAOYSA-N
XLogP2.38
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.88
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-[1-(2,4-dimethylpiperazin-1-yl)-2-hydroxyethyl]-6-ethoxyphenol
CID 112540464
2-(2-chloro-3,4-dimethoxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine
CID 83979242
2-(2,4-dimethylpiperazin-1-yl)-2-(4-methoxy-3-propoxyphenyl)ethanamine
CID 83979522
2-(3-chloro-4-ethoxyphenyl)-2-(4-ethyl-2-methylpiperazin-1-yl)ethanamine
CID 83979851
2-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)acetic acid
CID 83979954
2-(3-chloro-4-propan-2-yloxyphenyl)-2-(2-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 83979881
3-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110537925
2-(3,5-dichloro-4-methoxyphenyl)-2-(4-propylpiperazin-1-yl)ethanamine
CID 112540388
2-(3-chloro-4-ethoxyphenyl)-2-(2-methyl-4-propylpiperazin-1-yl)ethanol
CID 112540365
1-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine
CID 120909190
2-(4-bromothiophen-2-yl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine
CID 114086348
2-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 65021681

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine (CID 83979744) is 2-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine is CCOc1cc(C(CN)N2CCN(C)CC2C)cc(Cl)c1OC.
What is the InChIKey of 2-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine?
The InChIKey is ZPLJGAZITUQSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN3O2/c1-5-23-16-9-13(8-14(18)17(16)22-4)15(10-19)21-7-6-20(3)11-12(21)2/h8-9,12,15H,5-7,10-11,19H2,1-4H3.
What are the key properties of 2-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine?
2-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine has a molecular weight of 341.88 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 83979744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).