2-[(4-iodophenoxy)methyl]-N-methylpyridin-4-amine

C13H13IN2O — CID 79251513

IUPAC2-[(4-iodophenoxy)methyl]-N-methylpyridin-4-amine
SMILESCNc1ccnc(COc2ccc(I)cc2)c1
InChIInChI=1S/C13H13IN2O/c1-15-11-6-7-16-12(8-11)9-17-13-4-2-10(14)3-5-13/h2-8H,9H2,1H3,(H,15,16)
InChIKeyRTGFXHWQMNYVQS-UHFFFAOYSA-N
MW340.16 g/mol
LogP3.31
Rot. Bonds4

About 2-[(4-iodophenoxy)methyl]-N-methylpyridin-4-amine

2-[(4-iodophenoxy)methyl]-N-methylpyridin-4-amine (PubChem CID 79251513) has the molecular formula C13H13IN2O and a molecular weight of 340.16 g/mol. Its IUPAC name is 2-[(4-iodophenoxy)methyl]-N-methylpyridin-4-amine.

Molecular Properties

Compound Name2-[(4-iodophenoxy)methyl]-N-methylpyridin-4-amine
PubChem CID79251513
Molecular FormulaC13H13IN2O
Molecular Weight340.16 g/mol
Exact Mass340.01
IUPAC Name2-[(4-iodophenoxy)methyl]-N-methylpyridin-4-amine
SMILESCNc1ccnc(COc2ccc(I)cc2)c1
InChIInChI=1S/C13H13IN2O/c1-15-11-6-7-16-12(8-11)9-17-13-4-2-10(14)3-5-13/h2-8H,9H2,1H3,(H,15,16)
InChIKeyRTGFXHWQMNYVQS-UHFFFAOYSA-N
XLogP3.31
TPSA34.15 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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-iodophenoxy)methyl]-N-methylpyridin-4-amine?
The IUPAC name of 2-[(4-iodophenoxy)methyl]-N-methylpyridin-4-amine (CID 79251513) is 2-[(4-iodophenoxy)methyl]-N-methylpyridin-4-amine.
What is the SMILES notation for 2-[(4-iodophenoxy)methyl]-N-methylpyridin-4-amine?
The canonical SMILES for 2-[(4-iodophenoxy)methyl]-N-methylpyridin-4-amine is CNc1ccnc(COc2ccc(I)cc2)c1.
What is the InChIKey of 2-[(4-iodophenoxy)methyl]-N-methylpyridin-4-amine?
The InChIKey is RTGFXHWQMNYVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IN2O/c1-15-11-6-7-16-12(8-11)9-17-13-4-2-10(14)3-5-13/h2-8H,9H2,1H3,(H,15,16).
What are the key properties of 2-[(4-iodophenoxy)methyl]-N-methylpyridin-4-amine?
2-[(4-iodophenoxy)methyl]-N-methylpyridin-4-amine has a molecular weight of 340.16 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-iodophenoxy)methyl]-N-methylpyridin-4-amine is sourced from PubChem (CID 79251513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).