6-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-N-methylpyridin-2-amine

C16H20ClN3 — CID 79233617

IUPAC6-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-N-methylpyridin-2-amine
SMILESCNc1cccc(CN(C)C(C)c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H20ClN3/c1-12(13-7-9-14(17)10-8-13)20(3)11-15-5-4-6-16(18-2)19-15/h4-10,12H,11H2,1-3H3,(H,18,19)
InChIKeyPMCKRFGITMZAFI-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.97
Rot. Bonds5

About 6-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-N-methylpyridin-2-amine

6-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-N-methylpyridin-2-amine (PubChem CID 79233617) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 6-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-N-methylpyridin-2-amine
PubChem CID79233617
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name6-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-N-methylpyridin-2-amine
SMILESCNc1cccc(CN(C)C(C)c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H20ClN3/c1-12(13-7-9-14(17)10-8-13)20(3)11-15-5-4-6-16(18-2)19-15/h4-10,12H,11H2,1-3H3,(H,18,19)
InChIKeyPMCKRFGITMZAFI-UHFFFAOYSA-N
XLogP3.97
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-N-methylpyridin-2-amine?
The IUPAC name of 6-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-N-methylpyridin-2-amine (CID 79233617) is 6-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 6-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 6-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-N-methylpyridin-2-amine is CNc1cccc(CN(C)C(C)c2ccc(Cl)cc2)n1.
What is the InChIKey of 6-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-N-methylpyridin-2-amine?
The InChIKey is PMCKRFGITMZAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-12(13-7-9-14(17)10-8-13)20(3)11-15-5-4-6-16(18-2)19-15/h4-10,12H,11H2,1-3H3,(H,18,19).
What are the key properties of 6-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-N-methylpyridin-2-amine?
6-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-N-methylpyridin-2-amine has a molecular weight of 289.81 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 79233617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).