2-(2,4-diethylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanamine

C18H31N3O2 — CID 83979043

IUPAC2-(2,4-diethylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanamine
SMILESCCC1CN(CC)CCN1C(CN)c1cc(OC)ccc1OC
InChIInChI=1S/C18H31N3O2/c1-5-14-13-20(6-2)9-10-21(14)17(12-19)16-11-15(22-3)7-8-18(16)23-4/h7-8,11,14,17H,5-6,9-10,12-13,19H2,1-4H3
InChIKeyCPLNWKLVLRIWNT-UHFFFAOYSA-N
MW321.47 g/mol
LogP2.12
Rot. Bonds7

About 2-(2,4-diethylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanamine

2-(2,4-diethylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanamine (PubChem CID 83979043) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 2-(2,4-diethylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,4-diethylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanamine
PubChem CID83979043
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name2-(2,4-diethylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanamine
SMILESCCC1CN(CC)CCN1C(CN)c1cc(OC)ccc1OC
InChIInChI=1S/C18H31N3O2/c1-5-14-13-20(6-2)9-10-21(14)17(12-19)16-11-15(22-3)7-8-18(16)23-4/h7-8,11,14,17H,5-6,9-10,12-13,19H2,1-4H3
InChIKeyCPLNWKLVLRIWNT-UHFFFAOYSA-N
XLogP2.12
TPSA50.96 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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dimethoxyphenyl)-2-(3-ethylmorpholin-4-yl)ethanamine
CID 43611859
2-(2,5-dimethoxyphenyl)-2-(3-methylmorpholin-4-yl)ethanamine
CID 43541870
(3R)-1-[(1S)-2-amino-1-(2,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124824548
1-[2-amino-1-(2,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 44890949
2-(2,4-dimethoxyphenyl)-2-(1-ethylpiperidin-4-yl)ethanamine
CID 83973119
2-[2-amino-1-(4-ethylpiperazin-1-yl)ethyl]-5-methoxyphenol
CID 82043681
1-(2,5-dimethoxyphenyl)-2-(3-ethylpyrrolidin-1-yl)ethanol
CID 115688534
1-[1-(2,5-dimethoxyphenyl)ethyl]-3-ethylpiperidin-4-amine
CID 81451585
1-[1-[1-(2,5-dimethoxyphenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 103975552
2-(3-chloro-4-ethoxyphenyl)-2-(4-ethyl-2-methylpiperazin-1-yl)ethanamine
CID 83979851
2-(4-ethylpiperazin-1-yl)-2-(3-methoxyphenyl)ethanamine
CID 16782572
2-(1-ethylpyrrolidin-3-yl)-3-(4-methoxyphenoxy)propan-1-amine
CID 117237996

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-diethylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanamine?
The IUPAC name of 2-(2,4-diethylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanamine (CID 83979043) is 2-(2,4-diethylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2,4-diethylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanamine?
The canonical SMILES for 2-(2,4-diethylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanamine is CCC1CN(CC)CCN1C(CN)c1cc(OC)ccc1OC.
What is the InChIKey of 2-(2,4-diethylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanamine?
The InChIKey is CPLNWKLVLRIWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-5-14-13-20(6-2)9-10-21(14)17(12-19)16-11-15(22-3)7-8-18(16)23-4/h7-8,11,14,17H,5-6,9-10,12-13,19H2,1-4H3.
What are the key properties of 2-(2,4-diethylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanamine?
2-(2,4-diethylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanamine has a molecular weight of 321.47 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-diethylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanamine is sourced from PubChem (CID 83979043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).