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

C15H15IN2O — CID 62321870

IUPACN-[[6-(3-iodophenoxy)-2-pyridinyl]methyl]cyclopropanamine
SMILESIc1cccc(Oc2cccc(CNC3CC3)n2)c1
InChIInChI=1S/C15H15IN2O/c16-11-3-1-5-14(9-11)19-15-6-2-4-13(18-15)10-17-12-7-8-12/h1-6,9,12,17H,7-8,10H2
InChIKeyXUZLNIQMRSZJHB-UHFFFAOYSA-N
MW366.20 g/mol
LogP3.73
Rot. Bonds5

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

N-[[6-(3-iodophenoxy)-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 62321870) has the molecular formula C15H15IN2O and a molecular weight of 366.20 g/mol. Its IUPAC name is N-[[6-(3-iodophenoxy)-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(3-iodophenoxy)-2-pyridinyl]methyl]cyclopropanamine
PubChem CID62321870
Molecular FormulaC15H15IN2O
Molecular Weight366.20 g/mol
Exact Mass366.02
IUPAC NameN-[[6-(3-iodophenoxy)-2-pyridinyl]methyl]cyclopropanamine
SMILESIc1cccc(Oc2cccc(CNC3CC3)n2)c1
InChIInChI=1S/C15H15IN2O/c16-11-3-1-5-14(9-11)19-15-6-2-4-13(18-15)10-17-12-7-8-12/h1-6,9,12,17H,7-8,10H2
InChIKeyXUZLNIQMRSZJHB-UHFFFAOYSA-N
XLogP3.73
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 53.73
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-[[6-(3-bromophenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62323390
N-[[6-(3-methoxyphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62298332
N-[[6-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 83134114
N-[[6-(3-bromo-5-fluorophenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 81326156
N-[(6-cyclobutyloxy-2-pyridinyl)methyl]cyclopropanamine
CID 62287510
N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]cyclopropanamine
CID 62291463
2-(3-iodophenoxy)-6-methylpyridine
CID 61400141
N-[[6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62298316
N-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]cyclopropanamine
CID 43283686
N-[[6-(3-methylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 62297853
N-[[6-(2-chloro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62323460
N-[[6-(phenoxymethyl)-2-pyridinyl]methyl]cyclopropanamine
CID 106908050

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-iodophenoxy)-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(3-iodophenoxy)-2-pyridinyl]methyl]cyclopropanamine (CID 62321870) is N-[[6-(3-iodophenoxy)-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(3-iodophenoxy)-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(3-iodophenoxy)-2-pyridinyl]methyl]cyclopropanamine is Ic1cccc(Oc2cccc(CNC3CC3)n2)c1.
What is the InChIKey of N-[[6-(3-iodophenoxy)-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is XUZLNIQMRSZJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN2O/c16-11-3-1-5-14(9-11)19-15-6-2-4-13(18-15)10-17-12-7-8-12/h1-6,9,12,17H,7-8,10H2.
What are the key properties of N-[[6-(3-iodophenoxy)-2-pyridinyl]methyl]cyclopropanamine?
N-[[6-(3-iodophenoxy)-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 366.20 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-iodophenoxy)-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 62321870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).