2-[6-(3-iodophenoxy)-3-pyridinyl]ethanamine

C13H13IN2O — CID 80639888

IUPAC2-[6-(3-iodophenoxy)-3-pyridinyl]ethanamine
SMILESNCCc1ccc(Oc2cccc(I)c2)nc1
InChIInChI=1S/C13H13IN2O/c14-11-2-1-3-12(8-11)17-13-5-4-10(6-7-15)9-16-13/h1-5,8-9H,6-7,15H2
InChIKeyDHPZVURXCUGRAM-UHFFFAOYSA-N
MW340.16 g/mol
LogP2.98
Rot. Bonds4

About 2-[6-(3-iodophenoxy)-3-pyridinyl]ethanamine

2-[6-(3-iodophenoxy)-3-pyridinyl]ethanamine (PubChem CID 80639888) has the molecular formula C13H13IN2O and a molecular weight of 340.16 g/mol. Its IUPAC name is 2-[6-(3-iodophenoxy)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[6-(3-iodophenoxy)-3-pyridinyl]ethanamine
PubChem CID80639888
Molecular FormulaC13H13IN2O
Molecular Weight340.16 g/mol
Exact Mass340.01
IUPAC Name2-[6-(3-iodophenoxy)-3-pyridinyl]ethanamine
SMILESNCCc1ccc(Oc2cccc(I)c2)nc1
InChIInChI=1S/C13H13IN2O/c14-11-2-1-3-12(8-11)17-13-5-4-10(6-7-15)9-16-13/h1-5,8-9H,6-7,15H2
InChIKeyDHPZVURXCUGRAM-UHFFFAOYSA-N
XLogP2.98
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.16
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(6-pyridin-3-yloxy-3-pyridinyl)ethanamine
CID 80640422
N-[[6-(3-iodophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80633976
5-tert-butyl-2-(3-iodophenoxy)pyridine
CID 107874372
2-[6-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]ethanamine
CID 80640346
2-[6-(4-tert-butylphenoxy)-3-pyridinyl]ethanamine
CID 80640150
2-[6-(2,3-dichlorophenoxy)-3-pyridinyl]ethanamine
CID 80639795
2-[6-[4-(2-methylbutan-2-yl)phenoxy]-3-pyridinyl]ethanamine
CID 80626968
[6-(3-aminophenoxy)-3-pyridinyl]methanol
CID 89089280
2-[6-(2,3-dimethylphenoxy)-3-pyridinyl]ethanamine
CID 80640428
2-[6-(2-methoxyphenoxy)-3-pyridinyl]ethanamine
CID 80639711
CID 163843542
CID 163843542
2-(3-iodophenoxy)pyrazine
CID 60644113

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-iodophenoxy)-3-pyridinyl]ethanamine?
The IUPAC name of 2-[6-(3-iodophenoxy)-3-pyridinyl]ethanamine (CID 80639888) is 2-[6-(3-iodophenoxy)-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-[6-(3-iodophenoxy)-3-pyridinyl]ethanamine?
The canonical SMILES for 2-[6-(3-iodophenoxy)-3-pyridinyl]ethanamine is NCCc1ccc(Oc2cccc(I)c2)nc1.
What is the InChIKey of 2-[6-(3-iodophenoxy)-3-pyridinyl]ethanamine?
The InChIKey is DHPZVURXCUGRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IN2O/c14-11-2-1-3-12(8-11)17-13-5-4-10(6-7-15)9-16-13/h1-5,8-9H,6-7,15H2.
What are the key properties of 2-[6-(3-iodophenoxy)-3-pyridinyl]ethanamine?
2-[6-(3-iodophenoxy)-3-pyridinyl]ethanamine has a molecular weight of 340.16 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-iodophenoxy)-3-pyridinyl]ethanamine is sourced from PubChem (CID 80639888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).