1-[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine

C14H14Cl2N2O — CID 81250238

IUPAC1-[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnc(C)cc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H14Cl2N2O/c1-9-5-14(10(7-17-2)8-18-9)19-11-3-4-12(15)13(16)6-11/h3-6,8,17H,7H2,1-2H3
InChIKeyKYRFZPWZESISJA-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.21
Rot. Bonds4

About 1-[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine

1-[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine (PubChem CID 81250238) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 1-[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine
PubChem CID81250238
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name1-[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnc(C)cc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H14Cl2N2O/c1-9-5-14(10(7-17-2)8-18-9)19-11-3-4-12(15)13(16)6-11/h3-6,8,17H,7H2,1-2H3
InChIKeyKYRFZPWZESISJA-UHFFFAOYSA-N
XLogP4.21
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine
CID 81251160
1-[4-(5-bromo-2-chlorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine
CID 81251035
1-[4-(1,3-benzodioxol-5-yloxy)-6-methyl-3-pyridinyl]-N-methylmethanamine
CID 81254758
4-(4-chloro-3-ethylphenoxy)-5-(chloromethyl)-2-methylpyridine
CID 81233958
N-[[4-(4-chloro-3-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 82718571
1-(4-methoxy-6-methyl-3-pyridinyl)-N-methylmethanamine
CID 81254703
1-(4-ethoxy-6-methyl-3-pyridinyl)-N-methylmethanamine
CID 81253005
1-[4-(2-fluorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine
CID 81250425
N-[[4-(4-chlorophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81251064
1-[4-(3,4-dichlorophenoxy)-3-methylphenyl]-N-methylmethanamine
CID 63551292
1-[2-(3,4-dichlorophenoxy)-5-methylsulfanylphenyl]-N-methylmethanamine
CID 10131454
1-[2-chloro-6-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine
CID 63552208

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine (CID 81250238) is 1-[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine is CNCc1cnc(C)cc1Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine?
The InChIKey is KYRFZPWZESISJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c1-9-5-14(10(7-17-2)8-18-9)19-11-3-4-12(15)13(16)6-11/h3-6,8,17H,7H2,1-2H3.
What are the key properties of 1-[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine?
1-[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine has a molecular weight of 297.19 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 81250238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).