1-[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]-N-methylmethanamine

C13H20ClN3 — CID 43280415

IUPAC1-[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1N1CCN(C)CC1
InChIInChI=1S/C13H20ClN3/c1-15-10-11-12(14)4-3-5-13(11)17-8-6-16(2)7-9-17/h3-5,15H,6-10H2,1-2H3
InChIKeyDSDPDKAKPGADHP-UHFFFAOYSA-N
MW253.78 g/mol
LogP1.81
Rot. Bonds3

About 1-[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]-N-methylmethanamine

1-[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]-N-methylmethanamine (PubChem CID 43280415) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 1-[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]-N-methylmethanamine
PubChem CID43280415
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name1-[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1N1CCN(C)CC1
InChIInChI=1S/C13H20ClN3/c1-15-10-11-12(14)4-3-5-13(11)17-8-6-16(2)7-9-17/h3-5,15H,6-10H2,1-2H3
InChIKeyDSDPDKAKPGADHP-UHFFFAOYSA-N
XLogP1.81
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-chloro-6-(4-methyl-1,4-diazepan-1-yl)phenyl]-N-methylmethanamine
CID 43281338
1-[2-chloro-6-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-methylmethanamine
CID 43585488
1-(2-chloro-6-thiomorpholin-4-ylphenyl)-N-methylmethanamine
CID 43281436
1-[2-chloro-6-(4-cyclopropylpiperazin-1-yl)phenyl]-N-methylmethanamine
CID 61445796
1-[2-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-N-methylmethanamine
CID 62967711
1-[2-chloro-6-(4-methoxypiperidin-1-yl)phenyl]-N-methylmethanamine
CID 43373136
1-[2-chloro-6-(4-methylazepan-1-yl)phenyl]-N-methylmethanamine
CID 63624469
N-[[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]methyl]-1-methylpyrazol-4-amine
CID 75440527
1-[3-chloro-2-(methylaminomethyl)phenyl]pyrrolidin-3-ol
CID 62943201
1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-N-methylmethanamine
CID 81150963
1-[2-(bromomethyl)-3-chlorophenyl]-4-methyl-1,4-diazepane
CID 107079656
N-[[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]methyl]-1,5-dimethylpyrazol-4-amine
CID 127265172

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]-N-methylmethanamine (CID 43280415) is 1-[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]-N-methylmethanamine is CNCc1c(Cl)cccc1N1CCN(C)CC1.
What is the InChIKey of 1-[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]-N-methylmethanamine?
The InChIKey is DSDPDKAKPGADHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-15-10-11-12(14)4-3-5-13(11)17-8-6-16(2)7-9-17/h3-5,15H,6-10H2,1-2H3.
What are the key properties of 1-[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]-N-methylmethanamine?
1-[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]-N-methylmethanamine has a molecular weight of 253.78 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 43280415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).