5-chloro-6-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-2-amine

C15H15Cl3N2 — CID 63446127

IUPAC5-chloro-6-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-2-amine
SMILESCC(c1ccccc1Cl)N(C)c1ccc(Cl)c(CCl)n1
InChIInChI=1S/C15H15Cl3N2/c1-10(11-5-3-4-6-12(11)17)20(2)15-8-7-13(18)14(9-16)19-15/h3-8,10H,9H2,1-2H3
InChIKeyQRAQUUZPIRNNOD-UHFFFAOYSA-N
MW329.66 g/mol
LogP5.32
Rot. Bonds4

About 5-chloro-6-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-2-amine

5-chloro-6-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-2-amine (PubChem CID 63446127) has the molecular formula C15H15Cl3N2 and a molecular weight of 329.66 g/mol. Its IUPAC name is 5-chloro-6-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-2-amine
PubChem CID63446127
Molecular FormulaC15H15Cl3N2
Molecular Weight329.66 g/mol
Exact Mass328.03
IUPAC Name5-chloro-6-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-2-amine
SMILESCC(c1ccccc1Cl)N(C)c1ccc(Cl)c(CCl)n1
InChIInChI=1S/C15H15Cl3N2/c1-10(11-5-3-4-6-12(11)17)20(2)15-8-7-13(18)14(9-16)19-15/h3-8,10H,9H2,1-2H3
InChIKeyQRAQUUZPIRNNOD-UHFFFAOYSA-N
XLogP5.32
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.66
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-N-[1-(2-chlorophenyl)ethyl]-4-N-methylpyrimidine-2,4-diamine
CID 80824315
5-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyrimidin-2-amine
CID 113387953
4-N-[1-(2-chlorophenyl)ethyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80943728
5-chloro-6-(chloromethyl)-N-ethyl-N-phenylpyridin-2-amine
CID 63445506
6-(aminomethyl)-5-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridin-2-amine
CID 62984551
(1S)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]phenyl]ethanol
CID 63371731
N-(2-chloroethyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 62984501
6-chloro-2-N-[1-(2-chlorophenyl)ethyl]-4-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80809006
N-butan-2-yl-N-butyl-5-chloro-6-(chloromethyl)pyridin-2-amine
CID 55197665
5-chloro-6-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 112663600
1-(2-chlorophenyl)-N-ethyl-N-methylethanamine
CID 126986399
2-(2-aminoethyl)-3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline
CID 63783609

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-2-amine?
The IUPAC name of 5-chloro-6-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-2-amine (CID 63446127) is 5-chloro-6-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-chloro-6-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-chloro-6-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-2-amine is CC(c1ccccc1Cl)N(C)c1ccc(Cl)c(CCl)n1.
What is the InChIKey of 5-chloro-6-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-2-amine?
The InChIKey is QRAQUUZPIRNNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl3N2/c1-10(11-5-3-4-6-12(11)17)20(2)15-8-7-13(18)14(9-16)19-15/h3-8,10H,9H2,1-2H3.
What are the key properties of 5-chloro-6-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-2-amine?
5-chloro-6-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-2-amine has a molecular weight of 329.66 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 63446127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).