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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Related Compounds

1-[2-chloro-6-(4-cyclopropylpiperazin-1-yl)phenyl]-N-methylmethanamine
CID 61445796
N-[[2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 63635864
N-[[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 81149173
N-[[2-chloro-6-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]ethanamine
CID 54977416
N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 114849168
N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chlorophenyl]methyl]ethanamine
CID 54980827
1-[2-(bromomethyl)-3-chlorophenyl]-4-cyclopentylpiperazine
CID 107082799
N-[[2-(4-cyclopentylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 62369129
N-[[2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 63550854
N-[[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-6-chlorophenyl]methyl]ethanamine
CID 102727329
2-chloro-6-(4-cyclopropylpiperazin-1-yl)benzoic acid
CID 61441756
2-chloro-6-(4-cyclopropylpiperazin-1-yl)aniline
CID 104834247

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).