N-[[2-chloro-6-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine

C16H24ClN3 — CID 61445797

IUPACN-[[2-chloro-6-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1c(Cl)cccc1N1CCN(C2CC2)CC1
InChIInChI=1S/C16H24ClN3/c1-2-18-12-14-15(17)4-3-5-16(14)20-10-8-19(9-11-20)13-6-7-13/h3-5,13,18H,2,6-12H2,1H3
InChIKeyHRLJQLFFMRKOLH-UHFFFAOYSA-N
MW293.84 g/mol
LogP2.73
Rot. Bonds5

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

N-[[2-chloro-6-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine (PubChem CID 61445797) has the molecular formula C16H24ClN3 and a molecular weight of 293.84 g/mol. Its IUPAC name is N-[[2-chloro-6-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-chloro-6-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine
PubChem CID61445797
Molecular FormulaC16H24ClN3
Molecular Weight293.84 g/mol
Exact Mass293.17
IUPAC NameN-[[2-chloro-6-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1c(Cl)cccc1N1CCN(C2CC2)CC1
InChIInChI=1S/C16H24ClN3/c1-2-18-12-14-15(17)4-3-5-16(14)20-10-8-19(9-11-20)13-6-7-13/h3-5,13,18H,2,6-12H2,1H3
InChIKeyHRLJQLFFMRKOLH-UHFFFAOYSA-N
XLogP2.73
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-chloro-6-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine (CID 61445797) is N-[[2-chloro-6-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-chloro-6-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-chloro-6-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine is CCNCc1c(Cl)cccc1N1CCN(C2CC2)CC1.
What is the InChIKey of N-[[2-chloro-6-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine?
The InChIKey is HRLJQLFFMRKOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3/c1-2-18-12-14-15(17)4-3-5-16(14)20-10-8-19(9-11-20)13-6-7-13/h3-5,13,18H,2,6-12H2,1H3.
What are the key properties of N-[[2-chloro-6-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine?
N-[[2-chloro-6-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine has a molecular weight of 293.84 g/mol, XLogP of 2.73, 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-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 61445797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).