3-(4-iodophenyl)oxan-4-amine

C11H14INO — CID 67310807

IUPAC3-(4-iodophenyl)oxan-4-amine
SMILESNC1CCOCC1c1ccc(I)cc1
InChIInChI=1S/C11H14INO/c12-9-3-1-8(2-4-9)10-7-14-6-5-11(10)13/h1-4,10-11H,5-7,13H2
InChIKeyYZZAXMIMTCPITF-UHFFFAOYSA-N
MW303.14 g/mol
LogP2.12
Rot. Bonds1

About 3-(4-iodophenyl)oxan-4-amine

3-(4-iodophenyl)oxan-4-amine (PubChem CID 67310807) has the molecular formula C11H14INO and a molecular weight of 303.14 g/mol. Its IUPAC name is 3-(4-iodophenyl)oxan-4-amine.

Molecular Properties

Compound Name3-(4-iodophenyl)oxan-4-amine
PubChem CID67310807
Molecular FormulaC11H14INO
Molecular Weight303.14 g/mol
Exact Mass303.01
IUPAC Name3-(4-iodophenyl)oxan-4-amine
SMILESNC1CCOCC1c1ccc(I)cc1
InChIInChI=1S/C11H14INO/c12-9-3-1-8(2-4-9)10-7-14-6-5-11(10)13/h1-4,10-11H,5-7,13H2
InChIKeyYZZAXMIMTCPITF-UHFFFAOYSA-N
XLogP2.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-iodophenyl)oxan-4-amine?
The IUPAC name of 3-(4-iodophenyl)oxan-4-amine (CID 67310807) is 3-(4-iodophenyl)oxan-4-amine.
What is the SMILES notation for 3-(4-iodophenyl)oxan-4-amine?
The canonical SMILES for 3-(4-iodophenyl)oxan-4-amine is NC1CCOCC1c1ccc(I)cc1.
What is the InChIKey of 3-(4-iodophenyl)oxan-4-amine?
The InChIKey is YZZAXMIMTCPITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO/c12-9-3-1-8(2-4-9)10-7-14-6-5-11(10)13/h1-4,10-11H,5-7,13H2.
What are the key properties of 3-(4-iodophenyl)oxan-4-amine?
3-(4-iodophenyl)oxan-4-amine has a molecular weight of 303.14 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodophenyl)oxan-4-amine is sourced from PubChem (CID 67310807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).