2-(3,4-diethylpiperazin-1-yl)-2-(4-ethoxy-3-methoxyphenyl)ethanamine

C19H33N3O2 — CID 83979259

IUPAC2-(3,4-diethylpiperazin-1-yl)-2-(4-ethoxy-3-methoxyphenyl)ethanamine
SMILESCCOc1ccc(C(CN)N2CCN(CC)C(CC)C2)cc1OC
InChIInChI=1S/C19H33N3O2/c1-5-16-14-22(11-10-21(16)6-2)17(13-20)15-8-9-18(24-7-3)19(12-15)23-4/h8-9,12,16-17H,5-7,10-11,13-14,20H2,1-4H3
InChIKeyZXVBPNHFKDQKNM-UHFFFAOYSA-N
MW335.49 g/mol
LogP2.51
Rot. Bonds8

About 2-(3,4-diethylpiperazin-1-yl)-2-(4-ethoxy-3-methoxyphenyl)ethanamine

2-(3,4-diethylpiperazin-1-yl)-2-(4-ethoxy-3-methoxyphenyl)ethanamine (PubChem CID 83979259) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 2-(3,4-diethylpiperazin-1-yl)-2-(4-ethoxy-3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-diethylpiperazin-1-yl)-2-(4-ethoxy-3-methoxyphenyl)ethanamine
PubChem CID83979259
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name2-(3,4-diethylpiperazin-1-yl)-2-(4-ethoxy-3-methoxyphenyl)ethanamine
SMILESCCOc1ccc(C(CN)N2CCN(CC)C(CC)C2)cc1OC
InChIInChI=1S/C19H33N3O2/c1-5-16-14-22(11-10-21(16)6-2)17(13-20)15-8-9-18(24-7-3)19(12-15)23-4/h8-9,12,16-17H,5-7,10-11,13-14,20H2,1-4H3
InChIKeyZXVBPNHFKDQKNM-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-(3,4-diethylpiperazin-1-yl)-2-(2-ethoxyphenyl)ethanamine
CID 83979077
2-(4-ethyl-3-methylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 63605596
2-(4-ethyl-3-methylpiperazin-1-yl)-2-(2,4,5-trimethoxyphenyl)ethanamine
CID 83979923
(2R)-2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 9161144
2-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 83979728
2-(4-ethoxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol
CID 83979284
(3R)-1-[(1R)-2-amino-1-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124747076
2-(2,4-diethoxyphenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 83979822
2-(4-ethoxy-3-methoxyphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine
CID 83979287
(1R)-1-(4-ethoxy-3-methoxyphenyl)propane-1,3-diamine
CID 171212212
2-(3-chloro-4-methoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 65021916

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diethylpiperazin-1-yl)-2-(4-ethoxy-3-methoxyphenyl)ethanamine?
The IUPAC name of 2-(3,4-diethylpiperazin-1-yl)-2-(4-ethoxy-3-methoxyphenyl)ethanamine (CID 83979259) is 2-(3,4-diethylpiperazin-1-yl)-2-(4-ethoxy-3-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3,4-diethylpiperazin-1-yl)-2-(4-ethoxy-3-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(3,4-diethylpiperazin-1-yl)-2-(4-ethoxy-3-methoxyphenyl)ethanamine is CCOc1ccc(C(CN)N2CCN(CC)C(CC)C2)cc1OC.
What is the InChIKey of 2-(3,4-diethylpiperazin-1-yl)-2-(4-ethoxy-3-methoxyphenyl)ethanamine?
The InChIKey is ZXVBPNHFKDQKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-5-16-14-22(11-10-21(16)6-2)17(13-20)15-8-9-18(24-7-3)19(12-15)23-4/h8-9,12,16-17H,5-7,10-11,13-14,20H2,1-4H3.
What are the key properties of 2-(3,4-diethylpiperazin-1-yl)-2-(4-ethoxy-3-methoxyphenyl)ethanamine?
2-(3,4-diethylpiperazin-1-yl)-2-(4-ethoxy-3-methoxyphenyl)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-(3,4-diethylpiperazin-1-yl)-2-(4-ethoxy-3-methoxyphenyl)ethanamine is sourced from PubChem (CID 83979259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).