1-[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]-N-methylmethanamine

C15H16Cl2N2O — CID 62323650

IUPAC1-[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1nc(Oc2cc(C)c(Cl)c(C)c2)ccc1Cl
InChIInChI=1S/C15H16Cl2N2O/c1-9-6-11(7-10(2)15(9)17)20-14-5-4-12(16)13(19-14)8-18-3/h4-7,18H,8H2,1-3H3
InChIKeyPNFLGFZHXKZUGX-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.52
Rot. Bonds4

About 1-[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]-N-methylmethanamine

1-[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]-N-methylmethanamine (PubChem CID 62323650) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is 1-[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]-N-methylmethanamine
PubChem CID62323650
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC Name1-[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1nc(Oc2cc(C)c(Cl)c(C)c2)ccc1Cl
InChIInChI=1S/C15H16Cl2N2O/c1-9-6-11(7-10(2)15(9)17)20-14-5-4-12(16)13(19-14)8-18-3/h4-7,18H,8H2,1-3H3
InChIKeyPNFLGFZHXKZUGX-UHFFFAOYSA-N
XLogP4.52
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]methyl]ethanamine
CID 63487984
1-[3-chloro-6-(3,5-dimethoxyphenoxy)-2-pyridinyl]-N-methylmethanamine
CID 62297032
[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]methanol
CID 61257343
1-[3-chloro-6-(3-ethylphenoxy)-2-pyridinyl]-N-methylmethanamine
CID 62298099
1-[3-chloro-6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]-N-methylmethanamine
CID 62287891
1-[6-(4-butylphenoxy)-3-chloro-2-pyridinyl]-N-methylmethanamine
CID 115493229
1-[6-(2-bromo-4-methylphenoxy)-3-chloro-2-pyridinyl]-N-methylmethanamine
CID 62322384
1-[2-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 62323652
1-[3-chloro-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-N-methylmethanamine
CID 62291643
1-(3-chloro-6-naphthalen-1-yloxy-2-pyridinyl)-N-methylmethanamine
CID 62322004
[6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]hydrazine
CID 80916249
[3-chloro-6-(3,5-dimethoxyphenoxy)-2-pyridinyl]methanol
CID 61257718

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]-N-methylmethanamine (CID 62323650) is 1-[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]-N-methylmethanamine is CNCc1nc(Oc2cc(C)c(Cl)c(C)c2)ccc1Cl.
What is the InChIKey of 1-[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]-N-methylmethanamine?
The InChIKey is PNFLGFZHXKZUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c1-9-6-11(7-10(2)15(9)17)20-14-5-4-12(16)13(19-14)8-18-3/h4-7,18H,8H2,1-3H3.
What are the key properties of 1-[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]-N-methylmethanamine?
1-[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]-N-methylmethanamine has a molecular weight of 311.21 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 62323650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).