1-[6-[(2,4-dichlorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine

C14H14Cl2N2O — CID 106908117

IUPAC1-[6-[(2,4-dichlorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1cccc(COc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H14Cl2N2O/c1-17-8-11-3-2-4-12(18-11)9-19-14-6-5-10(15)7-13(14)16/h2-7,17H,8-9H2,1H3
InChIKeyWDXKPLXZPFOPMK-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.69
Rot. Bonds5

About 1-[6-[(2,4-dichlorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine

1-[6-[(2,4-dichlorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine (PubChem CID 106908117) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 1-[6-[(2,4-dichlorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-[(2,4-dichlorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine
PubChem CID106908117
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name1-[6-[(2,4-dichlorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1cccc(COc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H14Cl2N2O/c1-17-8-11-3-2-4-12(18-11)9-19-14-6-5-10(15)7-13(14)16/h2-7,17H,8-9H2,1H3
InChIKeyWDXKPLXZPFOPMK-UHFFFAOYSA-N
XLogP3.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-[(2,4-dichlorophenoxy)methyl]-2-pyridinyl]hydrazine
CID 79233690
1-[6-[(2-bromo-4-methylphenoxy)methyl]-2-pyridinyl]-N-methylmethanamine
CID 106908164
1-[6-[(2-fluorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine
CID 106907979
1-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 62459209
N-[[6-[(2-chloro-4-fluorophenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106907860
2-chloro-6-[(5-chloro-2-methylphenoxy)methyl]pyridine
CID 79243153
N-[[6-[(5-chloro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908462
1-[2-[(6-chloro-2-pyridinyl)methoxy]phenyl]-N-methylmethanamine
CID 106484556
1-[2-[(2,4-dichlorophenoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82190991
N-methyl-1-[6-[(2-methyl-5-propan-2-ylphenoxy)methyl]-2-pyridinyl]methanamine
CID 106908248
1-[6-[(2-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine
CID 106908545
N-[[6-[(2-chloro-5-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine
CID 106908205

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(2,4-dichlorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[6-[(2,4-dichlorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine (CID 106908117) is 1-[6-[(2,4-dichlorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-[(2,4-dichlorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[6-[(2,4-dichlorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine is CNCc1cccc(COc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 1-[6-[(2,4-dichlorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine?
The InChIKey is WDXKPLXZPFOPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c1-17-8-11-3-2-4-12(18-11)9-19-14-6-5-10(15)7-13(14)16/h2-7,17H,8-9H2,1H3.
What are the key properties of 1-[6-[(2,4-dichlorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine?
1-[6-[(2,4-dichlorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine has a molecular weight of 297.19 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(2,4-dichlorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 106908117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).