N-[[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]methyl]ethanamine

C16H18Cl2N2O — CID 63487984

IUPACN-[[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1nc(Oc2cc(C)c(Cl)c(C)c2)ccc1Cl
InChIInChI=1S/C16H18Cl2N2O/c1-4-19-9-14-13(17)5-6-15(20-14)21-12-7-10(2)16(18)11(3)8-12/h5-8,19H,4,9H2,1-3H3
InChIKeyZWDSHUWATCYJTM-UHFFFAOYSA-N
MW325.24 g/mol
LogP4.91
Rot. Bonds5

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

N-[[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]methyl]ethanamine (PubChem CID 63487984) has the molecular formula C16H18Cl2N2O and a molecular weight of 325.24 g/mol. Its IUPAC name is N-[[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]methyl]ethanamine
PubChem CID63487984
Molecular FormulaC16H18Cl2N2O
Molecular Weight325.24 g/mol
Exact Mass324.08
IUPAC NameN-[[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1nc(Oc2cc(C)c(Cl)c(C)c2)ccc1Cl
InChIInChI=1S/C16H18Cl2N2O/c1-4-19-9-14-13(17)5-6-15(20-14)21-12-7-10(2)16(18)11(3)8-12/h5-8,19H,4,9H2,1-3H3
InChIKeyZWDSHUWATCYJTM-UHFFFAOYSA-N
XLogP4.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]-N-methylmethanamine
CID 62323650
[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]methanol
CID 61257343
N-[[3-chloro-6-(4-fluorophenoxy)-2-pyridinyl]methyl]ethanamine
CID 55058553
N-[[3-chloro-6-(3-methoxyphenoxy)-2-pyridinyl]methyl]ethanamine
CID 62295705
N-[[3-chloro-6-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]ethanamine
CID 62297317
N-[[6-(3-bromo-5-fluorophenoxy)-3-chloro-2-pyridinyl]methyl]ethanamine
CID 81325689
N-[[3-chloro-6-(4-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62298286
N-[[3-chloro-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]ethanamine
CID 62291644
N-[[3-chloro-6-(2-ethoxyethoxy)-2-pyridinyl]methyl]ethanamine
CID 62291916
N-[[3-chloro-6-(4-chlorophenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62296779
N-[[3-chloro-6-(2-methylpropoxy)-2-pyridinyl]methyl]ethanamine
CID 62290312
1-[3-chloro-6-(3,5-dimethoxyphenoxy)-2-pyridinyl]-N-methylmethanamine
CID 62297032

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]methyl]ethanamine (CID 63487984) is N-[[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]methyl]ethanamine is CCNCc1nc(Oc2cc(C)c(Cl)c(C)c2)ccc1Cl.
What is the InChIKey of N-[[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]methyl]ethanamine?
The InChIKey is ZWDSHUWATCYJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O/c1-4-19-9-14-13(17)5-6-15(20-14)21-12-7-10(2)16(18)11(3)8-12/h5-8,19H,4,9H2,1-3H3.
What are the key properties of N-[[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]methyl]ethanamine?
N-[[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]methyl]ethanamine has a molecular weight of 325.24 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 63487984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).