2-(3-chlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine

C15H24ClN3 — CID 63603993

IUPAC2-(3-chlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
SMILESCCC1CN(C(CN)c2cccc(Cl)c2)CCN1C
InChIInChI=1S/C15H24ClN3/c1-3-14-11-19(8-7-18(14)2)15(10-17)12-5-4-6-13(16)9-12/h4-6,9,14-15H,3,7-8,10-11,17H2,1-2H3
InChIKeyRLCDJJIBZCCTIX-UHFFFAOYSA-N
MW281.83 g/mol
LogP2.37
Rot. Bonds4

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

2-(3-chlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine (PubChem CID 63603993) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
PubChem CID63603993
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name2-(3-chlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
SMILESCCC1CN(C(CN)c2cccc(Cl)c2)CCN1C
InChIInChI=1S/C15H24ClN3/c1-3-14-11-19(8-7-18(14)2)15(10-17)12-5-4-6-13(16)9-12/h4-6,9,14-15H,3,7-8,10-11,17H2,1-2H3
InChIKeyRLCDJJIBZCCTIX-UHFFFAOYSA-N
XLogP2.37
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(5-chloro-2-fluorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 114843183
2-(2,3-dichlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 63608922
2-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 43562487
2-(3,4-diethoxyphenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 83979576
2-(4-butan-2-ylpiperazin-1-yl)-2-(3-chlorophenyl)ethanamine
CID 62773618
2-(3-ethyl-4-methylpiperazin-1-yl)-2-(2-fluorophenyl)ethanamine
CID 63603473
1-[2-amino-1-(3-chlorophenyl)ethyl]-4-methylpiperidin-3-ol
CID 102956061
(2S)-2-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 93489474
2-(3,5-dichlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 63605245
1-[2-amino-1-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 114081770

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(3-chlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine (CID 63603993) is 2-(3-chlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine is CCC1CN(C(CN)c2cccc(Cl)c2)CCN1C.
What is the InChIKey of 2-(3-chlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine?
The InChIKey is RLCDJJIBZCCTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-3-14-11-19(8-7-18(14)2)15(10-17)12-5-4-6-13(16)9-12/h4-6,9,14-15H,3,7-8,10-11,17H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine?
2-(3-chlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine has a molecular weight of 281.83 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 63603993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).