3-[(4-iodophenoxy)methyl]-N-methylpyridin-2-amine

C13H13IN2O — CID 62464965

IUPAC3-[(4-iodophenoxy)methyl]-N-methylpyridin-2-amine
SMILESCNc1ncccc1COc1ccc(I)cc1
InChIInChI=1S/C13H13IN2O/c1-15-13-10(3-2-8-16-13)9-17-12-6-4-11(14)5-7-12/h2-8H,9H2,1H3,(H,15,16)
InChIKeyKSWGODWLMSAEQC-UHFFFAOYSA-N
MW340.16 g/mol
LogP3.31
Rot. Bonds4

About 3-[(4-iodophenoxy)methyl]-N-methylpyridin-2-amine

3-[(4-iodophenoxy)methyl]-N-methylpyridin-2-amine (PubChem CID 62464965) has the molecular formula C13H13IN2O and a molecular weight of 340.16 g/mol. Its IUPAC name is 3-[(4-iodophenoxy)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[(4-iodophenoxy)methyl]-N-methylpyridin-2-amine
PubChem CID62464965
Molecular FormulaC13H13IN2O
Molecular Weight340.16 g/mol
Exact Mass340.01
IUPAC Name3-[(4-iodophenoxy)methyl]-N-methylpyridin-2-amine
SMILESCNc1ncccc1COc1ccc(I)cc1
InChIInChI=1S/C13H13IN2O/c1-15-13-10(3-2-8-16-13)9-17-12-6-4-11(14)5-7-12/h2-8H,9H2,1H3,(H,15,16)
InChIKeyKSWGODWLMSAEQC-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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Related Compounds

N-methyl-3-[[4-(trifluoromethyl)phenoxy]methyl]pyridin-2-amine
CID 62464814
3-(methoxymethyl)-N-methylpyridin-2-amine
CID 62464572
3-[[2-(methylamino)-3-pyridinyl]methoxy]benzonitrile
CID 62464085
3-[(2-methoxyphenoxy)methyl]-N-methylpyridin-2-amine
CID 62464422
N-methyl-3-[(2,4,6-tribromophenoxy)methyl]pyridin-2-amine
CID 63485474
3-[(2,3-dimethylphenoxy)methyl]-N-methylpyridin-2-amine
CID 62464069
[3-[(4-fluorophenoxy)methyl]-2-pyridinyl]hydrazine
CID 62465552
2-[(4-iodophenoxy)methyl]-N-methylpyridin-4-amine
CID 79251513
3-ethyl-N-methylpyridin-2-amine;dihydrochloride
CID 70603683
3-[(4-bromophenoxy)methyl]-N-propylpyridin-2-amine
CID 55075630
ethene;3-ethyl-N-methylpyridin-2-amine
CID 143712916
3-ethyl-N-methylpyridin-2-amine;molecular hydrogen
CID 177195094

Frequently Asked Questions

What is the IUPAC name of 3-[(4-iodophenoxy)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 3-[(4-iodophenoxy)methyl]-N-methylpyridin-2-amine (CID 62464965) is 3-[(4-iodophenoxy)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 3-[(4-iodophenoxy)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 3-[(4-iodophenoxy)methyl]-N-methylpyridin-2-amine is CNc1ncccc1COc1ccc(I)cc1.
What is the InChIKey of 3-[(4-iodophenoxy)methyl]-N-methylpyridin-2-amine?
The InChIKey is KSWGODWLMSAEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IN2O/c1-15-13-10(3-2-8-16-13)9-17-12-6-4-11(14)5-7-12/h2-8H,9H2,1H3,(H,15,16).
What are the key properties of 3-[(4-iodophenoxy)methyl]-N-methylpyridin-2-amine?
3-[(4-iodophenoxy)methyl]-N-methylpyridin-2-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 3-[(4-iodophenoxy)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 62464965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).