2-(4-ethoxy-3-methoxyphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine

C18H31N3O2 — CID 83979287

IUPAC2-(4-ethoxy-3-methoxyphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine
SMILESCCOc1ccc(C(CN(C)C)N2CCNC(C)C2)cc1OC
InChIInChI=1S/C18H31N3O2/c1-6-23-17-8-7-15(11-18(17)22-5)16(13-20(3)4)21-10-9-19-14(2)12-21/h7-8,11,14,16,19H,6,9-10,12-13H2,1-5H3
InChIKeyGWHHDMMEDKRZFI-UHFFFAOYSA-N
MW321.47 g/mol
LogP1.99
Rot. Bonds7

About 2-(4-ethoxy-3-methoxyphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine

2-(4-ethoxy-3-methoxyphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine (PubChem CID 83979287) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 2-(4-ethoxy-3-methoxyphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-ethoxy-3-methoxyphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine
PubChem CID83979287
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name2-(4-ethoxy-3-methoxyphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine
SMILESCCOc1ccc(C(CN(C)C)N2CCNC(C)C2)cc1OC
InChIInChI=1S/C18H31N3O2/c1-6-23-17-8-7-15(11-18(17)22-5)16(13-20(3)4)21-10-9-19-14(2)12-21/h7-8,11,14,16,19H,6,9-10,12-13H2,1-5H3
InChIKeyGWHHDMMEDKRZFI-UHFFFAOYSA-N
XLogP1.99
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol
CID 83979284
2-(3,4-dimethoxyphenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine
CID 83978280
2-(4-butoxy-3-ethoxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol
CID 83979609
4-[2-(dimethylamino)-1-(3-methylpiperazin-1-yl)ethyl]-N,N-dimethylaniline
CID 83977901
2-(4-tert-butylphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine
CID 83978630
4-[2-(3,4-dimethoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]morpholine
CID 112539497
(3S)-3-(4-ethoxy-3-methoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189664
N,N-dimethyl-2-(3-methylpiperazin-1-yl)-2-pyridin-4-ylethanamine
CID 83980043
2-(4-methoxy-3-propan-2-yloxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol
CID 83979559
1-[(1S)-1-(4-ethoxy-3-methoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171167191
1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)butyl]piperazine
CID 171293533
1-[(4-ethoxy-3-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
CID 3635199

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-3-methoxyphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(4-ethoxy-3-methoxyphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine (CID 83979287) is 2-(4-ethoxy-3-methoxyphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-ethoxy-3-methoxyphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(4-ethoxy-3-methoxyphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine is CCOc1ccc(C(CN(C)C)N2CCNC(C)C2)cc1OC.
What is the InChIKey of 2-(4-ethoxy-3-methoxyphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine?
The InChIKey is GWHHDMMEDKRZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-6-23-17-8-7-15(11-18(17)22-5)16(13-20(3)4)21-10-9-19-14(2)12-21/h7-8,11,14,16,19H,6,9-10,12-13H2,1-5H3.
What are the key properties of 2-(4-ethoxy-3-methoxyphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine?
2-(4-ethoxy-3-methoxyphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine has a molecular weight of 321.47 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-3-methoxyphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 83979287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).