N-[[2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]ethanamine

C16H26ClN3 — CID 63635864

IUPACN-[[2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1c(Cl)cccc1N1CCN(CC)C(C)C1
InChIInChI=1S/C16H26ClN3/c1-4-18-11-14-15(17)7-6-8-16(14)20-10-9-19(5-2)13(3)12-20/h6-8,13,18H,4-5,9-12H2,1-3H3
InChIKeyLDEUVTYRQHVTNL-UHFFFAOYSA-N
MW295.86 g/mol
LogP2.98
Rot. Bonds5

About N-[[2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]ethanamine

N-[[2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]ethanamine (PubChem CID 63635864) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is N-[[2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]ethanamine
PubChem CID63635864
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC NameN-[[2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1c(Cl)cccc1N1CCN(CC)C(C)C1
InChIInChI=1S/C16H26ClN3/c1-4-18-11-14-15(17)7-6-8-16(14)20-10-9-19(5-2)13(3)12-20/h6-8,13,18H,4-5,9-12H2,1-3H3
InChIKeyLDEUVTYRQHVTNL-UHFFFAOYSA-N
XLogP2.98
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]cyclopropanamine
CID 63635865
N-[[2-chloro-6-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 61445797
[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methanol
CID 63608891
N-[[2-chloro-6-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]ethanamine
CID 54977416
N-[[6-(4-ethyl-3-methylpiperazin-1-yl)-2-pyridinyl]methyl]ethanamine
CID 63620272
N-[[2-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine
CID 83220637
N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chlorophenyl]methyl]ethanamine
CID 54980827
N-[[3-chloro-4-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 81144404
[1-[3-chloro-2-(propylaminomethyl)phenyl]piperidin-3-yl]methanol
CID 43590515
N-[[5-chloro-2-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]ethanamine
CID 114926454
N-[[2-chloro-6-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 43281049
N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 17290765

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]ethanamine (CID 63635864) is N-[[2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]ethanamine is CCNCc1c(Cl)cccc1N1CCN(CC)C(C)C1.
What is the InChIKey of N-[[2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]ethanamine?
The InChIKey is LDEUVTYRQHVTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-4-18-11-14-15(17)7-6-8-16(14)20-10-9-19(5-2)13(3)12-20/h6-8,13,18H,4-5,9-12H2,1-3H3.
What are the key properties of N-[[2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]ethanamine?
N-[[2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]ethanamine has a molecular weight of 295.86 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 63635864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).