2-(2,3-dichlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine

C15H23Cl2N3 — CID 63608922

IUPAC2-(2,3-dichlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
SMILESCCC1CN(C(CN)c2cccc(Cl)c2Cl)CCN1C
InChIInChI=1S/C15H23Cl2N3/c1-3-11-10-20(8-7-19(11)2)14(9-18)12-5-4-6-13(16)15(12)17/h4-6,11,14H,3,7-10,18H2,1-2H3
InChIKeyFDHPAEWJXRNBLO-UHFFFAOYSA-N
MW316.28 g/mol
LogP3.02
Rot. Bonds4

About 2-(2,3-dichlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine

2-(2,3-dichlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine (PubChem CID 63608922) has the molecular formula C15H23Cl2N3 and a molecular weight of 316.28 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
PubChem CID63608922
Molecular FormulaC15H23Cl2N3
Molecular Weight316.28 g/mol
Exact Mass315.13
IUPAC Name2-(2,3-dichlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
SMILESCCC1CN(C(CN)c2cccc(Cl)c2Cl)CCN1C
InChIInChI=1S/C15H23Cl2N3/c1-3-11-10-20(8-7-19(11)2)14(9-18)12-5-4-6-13(16)15(12)17/h4-6,11,14H,3,7-10,18H2,1-2H3
InChIKeyFDHPAEWJXRNBLO-UHFFFAOYSA-N
XLogP3.02
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethyl-4-methylpiperazin-1-yl)-2-(2-fluorophenyl)ethanamine
CID 63603473
2-(3-chlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 63603993
2-(5-chloro-2-fluorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 114843183
2-(2,3-dichlorophenyl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine
CID 63610122
2-(3-ethyl-4-methylpiperazin-1-yl)-2-(3-fluorophenyl)ethanamine
CID 63605213
2-(3-ethyl-4-methylpiperazin-1-yl)-2-(3-methylphenyl)ethanamine
CID 63605560
2-(2,3-dichlorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
CID 62778142
2-(1,5-dimethylpyrazol-4-yl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 79584620
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-(2,3-dichlorophenyl)ethanamine
CID 63149837
2-(2,4-diethoxyphenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 83979822
1-(2,3-dichlorophenyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]ethanamine
CID 103782974
2-(2,6-dichlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)acetic acid
CID 83977841

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(2,3-dichlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine (CID 63608922) is 2-(2,3-dichlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(2,3-dichlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine is CCC1CN(C(CN)c2cccc(Cl)c2Cl)CCN1C.
What is the InChIKey of 2-(2,3-dichlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine?
The InChIKey is FDHPAEWJXRNBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N3/c1-3-11-10-20(8-7-19(11)2)14(9-18)12-5-4-6-13(16)15(12)17/h4-6,11,14H,3,7-10,18H2,1-2H3.
What are the key properties of 2-(2,3-dichlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine?
2-(2,3-dichlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine has a molecular weight of 316.28 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 63608922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).