N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine

C15H16ClFN2O2 — CID 116689533

IUPACN-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(Oc2cccc(Cl)c2F)nc1
InChIInChI=1S/C15H16ClFN2O2/c1-20-8-7-18-9-11-5-6-14(19-10-11)21-13-4-2-3-12(16)15(13)17/h2-6,10,18H,7-9H2,1H3
InChIKeyDVCSINMOXTYPLJ-UHFFFAOYSA-N
MW310.76 g/mol
LogP3.40
Rot. Bonds7

About N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine

N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine (PubChem CID 116689533) has the molecular formula C15H16ClFN2O2 and a molecular weight of 310.76 g/mol. Its IUPAC name is N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine
PubChem CID116689533
Molecular FormulaC15H16ClFN2O2
Molecular Weight310.76 g/mol
Exact Mass310.09
IUPAC NameN-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(Oc2cccc(Cl)c2F)nc1
InChIInChI=1S/C15H16ClFN2O2/c1-20-8-7-18-9-11-5-6-14(19-10-11)21-13-4-2-3-12(16)15(13)17/h2-6,10,18H,7-9H2,1H3
InChIKeyDVCSINMOXTYPLJ-UHFFFAOYSA-N
XLogP3.40
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 53.40
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-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 116689574
N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 116689541
N-[2-(3-chloro-2-fluorophenoxy)ethyl]-2-methoxyethanamine
CID 116690537
5-(bromomethyl)-2-(3-chloro-2-fluorophenoxy)pyridine
CID 107089215
N-[[6-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80638854
2-(3-chloro-2-fluorophenoxy)-N-(pyridin-3-ylmethyl)ethanamine
CID 116690528
N-[[2-(2-fluoro-3-methylphenoxy)pyrimidin-5-yl]methyl]-2-methoxyethanamine
CID 107659623
N-[[5-(3-chloro-2-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine
CID 116690114
2-methoxy-N-[[6-(3-methylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 80636206
N-[[6-(3-iodophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80633976
N-[[2-(3-chloro-2-fluorophenoxy)pyrimidin-5-yl]methyl]ethanamine
CID 116689543
N-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80636920

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine (CID 116689533) is N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine is COCCNCc1ccc(Oc2cccc(Cl)c2F)nc1.
What is the InChIKey of N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine?
The InChIKey is DVCSINMOXTYPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O2/c1-20-8-7-18-9-11-5-6-14(19-10-11)21-13-4-2-3-12(16)15(13)17/h2-6,10,18H,7-9H2,1H3.
What are the key properties of N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine?
N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine has a molecular weight of 310.76 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 116689533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).