N-[[6-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine

C15H16Cl2N2O2 — CID 80638854

IUPACN-[[6-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(Oc2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C15H16Cl2N2O2/c1-20-7-6-18-9-11-2-5-15(19-10-11)21-12-3-4-13(16)14(17)8-12/h2-5,8,10,18H,6-7,9H2,1H3
InChIKeyHMXVUMHEGIFUSV-UHFFFAOYSA-N
MW327.21 g/mol
LogP3.92
Rot. Bonds7

About N-[[6-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine

N-[[6-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine (PubChem CID 80638854) has the molecular formula C15H16Cl2N2O2 and a molecular weight of 327.21 g/mol. Its IUPAC name is N-[[6-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[6-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine
PubChem CID80638854
Molecular FormulaC15H16Cl2N2O2
Molecular Weight327.21 g/mol
Exact Mass326.06
IUPAC NameN-[[6-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(Oc2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C15H16Cl2N2O2/c1-20-7-6-18-9-11-2-5-15(19-10-11)21-12-3-4-13(16)14(17)8-12/h2-5,8,10,18H,6-7,9H2,1H3
InChIKeyHMXVUMHEGIFUSV-UHFFFAOYSA-N
XLogP3.92
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80636920
N-[[6-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62322080
2-methoxy-N-[[6-(3-methylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 80636206
N-[[6-(3-iodophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80633976
N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 116689533
N-[[6-(4-chloro-3-fluorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 82716590
N-[[6-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62548588
N-[(3-chloro-4-methylphenyl)methyl]-2-(3,4-dichlorophenoxy)ethanamine
CID 67864198
N-[[6-(4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62296432
N-[2-(3,4-dichlorophenoxy)ethyl]-3-methoxypropan-1-amine
CID 2581257
N-[[6-(3,5-dimethoxyphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62297385
2-(3,4-dichlorophenoxy)-N-[(4-methylsulfanylphenyl)methyl]ethanamine
CID 67877433

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[6-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine (CID 80638854) is N-[[6-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[6-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[6-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine is COCCNCc1ccc(Oc2ccc(Cl)c(Cl)c2)nc1.
What is the InChIKey of N-[[6-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine?
The InChIKey is HMXVUMHEGIFUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O2/c1-20-7-6-18-9-11-2-5-15(19-10-11)21-12-3-4-13(16)14(17)8-12/h2-5,8,10,18H,6-7,9H2,1H3.
What are the key properties of N-[[6-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine?
N-[[6-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine has a molecular weight of 327.21 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 80638854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).