2-(2,6-dichlorophenyl)-2-(2,4-diethylpiperazin-1-yl)ethanamine

C16H25Cl2N3 — CID 83977835

IUPAC2-(2,6-dichlorophenyl)-2-(2,4-diethylpiperazin-1-yl)ethanamine
SMILESCCC1CN(CC)CCN1C(CN)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H25Cl2N3/c1-3-12-11-20(4-2)8-9-21(12)15(10-19)16-13(17)6-5-7-14(16)18/h5-7,12,15H,3-4,8-11,19H2,1-2H3
InChIKeyPYSJKIVNRUBSPB-UHFFFAOYSA-N
MW330.30 g/mol
LogP3.41
Rot. Bonds5

About 2-(2,6-dichlorophenyl)-2-(2,4-diethylpiperazin-1-yl)ethanamine

2-(2,6-dichlorophenyl)-2-(2,4-diethylpiperazin-1-yl)ethanamine (PubChem CID 83977835) has the molecular formula C16H25Cl2N3 and a molecular weight of 330.30 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-2-(2,4-diethylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-2-(2,4-diethylpiperazin-1-yl)ethanamine
PubChem CID83977835
Molecular FormulaC16H25Cl2N3
Molecular Weight330.30 g/mol
Exact Mass329.14
IUPAC Name2-(2,6-dichlorophenyl)-2-(2,4-diethylpiperazin-1-yl)ethanamine
SMILESCCC1CN(CC)CCN1C(CN)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H25Cl2N3/c1-3-12-11-20(4-2)8-9-21(12)15(10-19)16-13(17)6-5-7-14(16)18/h5-7,12,15H,3-4,8-11,19H2,1-2H3
InChIKeyPYSJKIVNRUBSPB-UHFFFAOYSA-N
XLogP3.41
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dichlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
CID 54882963
2-(2,6-dichlorophenyl)-2-(2-ethylazepan-1-yl)ethanamine
CID 104689325
2-(2,6-dichlorophenyl)-2-(4-ethyl-2-methylpiperazin-1-yl)ethanol
CID 112539285
2-(2-chloro-6-fluorophenyl)-2-(3-ethylmorpholin-4-yl)ethanamine
CID 43612940
2-(2,4-diethylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanamine
CID 83979043
2-(2,6-dichlorophenyl)-2-(4-ethyl-2-methylpiperazin-1-yl)acetic acid
CID 83977850
2-(2,6-dichlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 43585100
2-(2,3-dichlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 63608922
2-(2,6-dichlorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965160
2-(2,6-dichlorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 66391497
2-(3-chloro-4-ethoxyphenyl)-2-(4-ethyl-2-methylpiperazin-1-yl)ethanamine
CID 83979851
2-(3-chloro-4-propan-2-yloxyphenyl)-2-(2-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 83979881

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-2-(2,4-diethylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(2,6-dichlorophenyl)-2-(2,4-diethylpiperazin-1-yl)ethanamine (CID 83977835) is 2-(2,6-dichlorophenyl)-2-(2,4-diethylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-2-(2,4-diethylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-2-(2,4-diethylpiperazin-1-yl)ethanamine is CCC1CN(CC)CCN1C(CN)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)-2-(2,4-diethylpiperazin-1-yl)ethanamine?
The InChIKey is PYSJKIVNRUBSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Cl2N3/c1-3-12-11-20(4-2)8-9-21(12)15(10-19)16-13(17)6-5-7-14(16)18/h5-7,12,15H,3-4,8-11,19H2,1-2H3.
What are the key properties of 2-(2,6-dichlorophenyl)-2-(2,4-diethylpiperazin-1-yl)ethanamine?
2-(2,6-dichlorophenyl)-2-(2,4-diethylpiperazin-1-yl)ethanamine has a molecular weight of 330.30 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-2-(2,4-diethylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 83977835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).