N-(3-fluoro-5-iodophenyl)-N-methyloxan-4-amine

C12H15FINO — CID 146173494

IUPACN-(3-fluoro-5-iodophenyl)-N-methyloxan-4-amine
SMILESCN(c1cc(F)cc(I)c1)C1CCOCC1
InChIInChI=1S/C12H15FINO/c1-15(11-2-4-16-5-3-11)12-7-9(13)6-10(14)8-12/h6-8,11H,2-5H2,1H3
InChIKeyHLOVWAPFZSCJDQ-UHFFFAOYSA-N
MW335.16 g/mol
LogP3.05
Rot. Bonds2

About N-(3-fluoro-5-iodophenyl)-N-methyloxan-4-amine

N-(3-fluoro-5-iodophenyl)-N-methyloxan-4-amine (PubChem CID 146173494) has the molecular formula C12H15FINO and a molecular weight of 335.16 g/mol. Its IUPAC name is N-(3-fluoro-5-iodophenyl)-N-methyloxan-4-amine.

Molecular Properties

Compound NameN-(3-fluoro-5-iodophenyl)-N-methyloxan-4-amine
PubChem CID146173494
Molecular FormulaC12H15FINO
Molecular Weight335.16 g/mol
Exact Mass335.02
IUPAC NameN-(3-fluoro-5-iodophenyl)-N-methyloxan-4-amine
SMILESCN(c1cc(F)cc(I)c1)C1CCOCC1
InChIInChI=1S/C12H15FINO/c1-15(11-2-4-16-5-3-11)12-7-9(13)6-10(14)8-12/h6-8,11H,2-5H2,1H3
InChIKeyHLOVWAPFZSCJDQ-UHFFFAOYSA-N
XLogP3.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 53.05
H-Bond Donors ≤ 50
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 N-(3-fluoro-5-iodophenyl)-N-methyloxan-4-amine?
The IUPAC name of N-(3-fluoro-5-iodophenyl)-N-methyloxan-4-amine (CID 146173494) is N-(3-fluoro-5-iodophenyl)-N-methyloxan-4-amine.
What is the SMILES notation for N-(3-fluoro-5-iodophenyl)-N-methyloxan-4-amine?
The canonical SMILES for N-(3-fluoro-5-iodophenyl)-N-methyloxan-4-amine is CN(c1cc(F)cc(I)c1)C1CCOCC1.
What is the InChIKey of N-(3-fluoro-5-iodophenyl)-N-methyloxan-4-amine?
The InChIKey is HLOVWAPFZSCJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FINO/c1-15(11-2-4-16-5-3-11)12-7-9(13)6-10(14)8-12/h6-8,11H,2-5H2,1H3.
What are the key properties of N-(3-fluoro-5-iodophenyl)-N-methyloxan-4-amine?
N-(3-fluoro-5-iodophenyl)-N-methyloxan-4-amine has a molecular weight of 335.16 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-iodophenyl)-N-methyloxan-4-amine is sourced from PubChem (CID 146173494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).