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

C15H17IN2O2 — CID 80633976

IUPACN-[[6-(3-iodophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(Oc2cccc(I)c2)nc1
InChIInChI=1S/C15H17IN2O2/c1-19-8-7-17-10-12-5-6-15(18-11-12)20-14-4-2-3-13(16)9-14/h2-6,9,11,17H,7-8,10H2,1H3
InChIKeyFWUPGGVEPKDMCQ-UHFFFAOYSA-N
MW384.22 g/mol
LogP3.21
Rot. Bonds7

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

N-[[6-(3-iodophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine (PubChem CID 80633976) has the molecular formula C15H17IN2O2 and a molecular weight of 384.22 g/mol. Its IUPAC name is N-[[6-(3-iodophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[6-(3-iodophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine
PubChem CID80633976
Molecular FormulaC15H17IN2O2
Molecular Weight384.22 g/mol
Exact Mass384.03
IUPAC NameN-[[6-(3-iodophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(Oc2cccc(I)c2)nc1
InChIInChI=1S/C15H17IN2O2/c1-19-8-7-17-10-12-5-6-15(18-11-12)20-14-4-2-3-13(16)9-14/h2-6,9,11,17H,7-8,10H2,1H3
InChIKeyFWUPGGVEPKDMCQ-UHFFFAOYSA-N
XLogP3.21
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.22
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[6-(3-methylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 80636206
N-[[6-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80638854
N-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80636920
2-[6-(3-iodophenoxy)-3-pyridinyl]ethanamine
CID 80639888
N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 116689533
N-[[6-(3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62296868
5-tert-butyl-2-(3-iodophenoxy)pyridine
CID 107874372
N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine
CID 62291138
N-[[4-(3-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine
CID 63072700
1-[6-(3-bromophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 55058512
N-[[6-(3,5-dimethoxyphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62297385
2-methoxy-N-[(6-phenylsulfanyl-3-pyridinyl)methyl]ethanamine
CID 80639378

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-iodophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[6-(3-iodophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine (CID 80633976) is N-[[6-(3-iodophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[6-(3-iodophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[6-(3-iodophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine is COCCNCc1ccc(Oc2cccc(I)c2)nc1.
What is the InChIKey of N-[[6-(3-iodophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine?
The InChIKey is FWUPGGVEPKDMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17IN2O2/c1-19-8-7-17-10-12-5-6-15(18-11-12)20-14-4-2-3-13(16)9-14/h2-6,9,11,17H,7-8,10H2,1H3.
What are the key properties of N-[[6-(3-iodophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine?
N-[[6-(3-iodophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine has a molecular weight of 384.22 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-iodophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 80633976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).