2-(3-bromo-4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine

C14H21BrClN3 — CID 83231104

IUPAC2-(3-bromo-4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
SMILESCCN1CCN(C(CN)c2ccc(Cl)c(Br)c2)CC1
InChIInChI=1S/C14H21BrClN3/c1-2-18-5-7-19(8-6-18)14(10-17)11-3-4-13(16)12(15)9-11/h3-4,9,14H,2,5-8,10,17H2,1H3
InChIKeyAJNNINMCDFANGU-UHFFFAOYSA-N
MW346.70 g/mol
LogP2.74
Rot. Bonds4

About 2-(3-bromo-4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine

2-(3-bromo-4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine (PubChem CID 83231104) has the molecular formula C14H21BrClN3 and a molecular weight of 346.70 g/mol. Its IUPAC name is 2-(3-bromo-4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
PubChem CID83231104
Molecular FormulaC14H21BrClN3
Molecular Weight346.70 g/mol
Exact Mass345.06
IUPAC Name2-(3-bromo-4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
SMILESCCN1CCN(C(CN)c2ccc(Cl)c(Br)c2)CC1
InChIInChI=1S/C14H21BrClN3/c1-2-18-5-7-19(8-6-18)14(10-17)11-3-4-13(16)12(15)9-11/h3-4,9,14H,2,5-8,10,17H2,1H3
InChIKeyAJNNINMCDFANGU-UHFFFAOYSA-N
XLogP2.74
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.70
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-amino-1-(4-ethylpiperazin-1-yl)ethyl]-2-chlorophenol
CID 83979614
2-(3-chloro-4-methoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 65021916
2-(3-bromo-4-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
CID 83230769
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(3-bromo-4-chlorophenyl)ethanamine
CID 83231118
2-(4-ethylpiperazin-1-yl)-2-(3-methoxyphenyl)ethanamine
CID 16782572
2-(3-bromo-4-chlorophenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine
CID 83230609
2-(3,4-dichlorophenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
CID 43105682
2-(4-ethylpiperazin-1-yl)-2-[4-(2-methylpropoxy)phenyl]ethanamine
CID 83979698
2-(4-bromothiophen-2-yl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 43123646
1-[(1R)-1-(3-bromo-4-chlorophenyl)-2-fluoroethyl]piperazine
CID 171182448
2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 16791134
2-(3-bromo-4-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine
CID 63157455

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(3-bromo-4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine (CID 83231104) is 2-(3-bromo-4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-bromo-4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(3-bromo-4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine is CCN1CCN(C(CN)c2ccc(Cl)c(Br)c2)CC1.
What is the InChIKey of 2-(3-bromo-4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine?
The InChIKey is AJNNINMCDFANGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrClN3/c1-2-18-5-7-19(8-6-18)14(10-17)11-3-4-13(16)12(15)9-11/h3-4,9,14H,2,5-8,10,17H2,1H3.
What are the key properties of 2-(3-bromo-4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine?
2-(3-bromo-4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine has a molecular weight of 346.70 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 83231104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).