5-chloro-6-[(4-chloro-3-ethylphenoxy)methyl]-N-methylpyridin-2-amine

C15H16Cl2N2O — CID 63486730

IUPAC5-chloro-6-[(4-chloro-3-ethylphenoxy)methyl]-N-methylpyridin-2-amine
SMILESCCc1cc(OCc2nc(NC)ccc2Cl)ccc1Cl
InChIInChI=1S/C15H16Cl2N2O/c1-3-10-8-11(4-5-12(10)16)20-9-14-13(17)6-7-15(18-2)19-14/h4-8H,3,9H2,1-2H3,(H,18,19)
InChIKeyUMAKPFZOEVQVIY-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.57
Rot. Bonds5

About 5-chloro-6-[(4-chloro-3-ethylphenoxy)methyl]-N-methylpyridin-2-amine

5-chloro-6-[(4-chloro-3-ethylphenoxy)methyl]-N-methylpyridin-2-amine (PubChem CID 63486730) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is 5-chloro-6-[(4-chloro-3-ethylphenoxy)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[(4-chloro-3-ethylphenoxy)methyl]-N-methylpyridin-2-amine
PubChem CID63486730
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC Name5-chloro-6-[(4-chloro-3-ethylphenoxy)methyl]-N-methylpyridin-2-amine
SMILESCCc1cc(OCc2nc(NC)ccc2Cl)ccc1Cl
InChIInChI=1S/C15H16Cl2N2O/c1-3-10-8-11(4-5-12(10)16)20-9-14-13(17)6-7-15(18-2)19-14/h4-8H,3,9H2,1-2H3,(H,18,19)
InChIKeyUMAKPFZOEVQVIY-UHFFFAOYSA-N
XLogP4.57
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-6-[(4-methoxyphenoxy)methyl]-N-methylpyridin-2-amine
CID 62885465
6-[(3-bromophenoxy)methyl]-5-chloro-N-methylpyridin-2-amine
CID 62886325
5-chloro-N-methyl-6-[(3-methylsulfonylphenoxy)methyl]pyridin-2-amine
CID 62885480
5-chloro-N-methyl-6-[(2,4,6-trichlorophenoxy)methyl]pyridin-2-amine
CID 63487402
5-chloro-6-(methoxymethyl)-N-methylpyridin-2-amine
CID 62886675
[6-[(4-chloro-3-ethylphenoxy)methyl]-2-pyridinyl]methanamine
CID 106908219
6-(2-butoxyethoxymethyl)-5-chloro-N-methylpyridin-2-amine
CID 55127649
5-chloro-N-methyl-6-(2-methylpropoxymethyl)pyridin-2-amine
CID 62886167
5-chloro-N-ethyl-6-[(4-fluorophenoxy)methyl]pyridin-2-amine
CID 62885461
1-chloro-2-ethyl-4-[3-(4-methoxyphenoxy)propoxy]benzene
CID 30135289
potassium (4-chloro-3-ethylphenoxy)methyl-trifluoroboranuide
CID 63701817
[5-chloro-6-[(3-methyl-4-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
CID 62886125

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(4-chloro-3-ethylphenoxy)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 5-chloro-6-[(4-chloro-3-ethylphenoxy)methyl]-N-methylpyridin-2-amine (CID 63486730) is 5-chloro-6-[(4-chloro-3-ethylphenoxy)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[(4-chloro-3-ethylphenoxy)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-chloro-6-[(4-chloro-3-ethylphenoxy)methyl]-N-methylpyridin-2-amine is CCc1cc(OCc2nc(NC)ccc2Cl)ccc1Cl.
What is the InChIKey of 5-chloro-6-[(4-chloro-3-ethylphenoxy)methyl]-N-methylpyridin-2-amine?
The InChIKey is UMAKPFZOEVQVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c1-3-10-8-11(4-5-12(10)16)20-9-14-13(17)6-7-15(18-2)19-14/h4-8H,3,9H2,1-2H3,(H,18,19).
What are the key properties of 5-chloro-6-[(4-chloro-3-ethylphenoxy)methyl]-N-methylpyridin-2-amine?
5-chloro-6-[(4-chloro-3-ethylphenoxy)methyl]-N-methylpyridin-2-amine has a molecular weight of 311.21 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(4-chloro-3-ethylphenoxy)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 63486730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).