1-[5-(4-iodophenyl)furan-2-yl]-N-methylpropan-2-amine

C14H16INO — CID 55180352

IUPAC1-[5-(4-iodophenyl)furan-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc(-c2ccc(I)cc2)o1
InChIInChI=1S/C14H16INO/c1-10(16-2)9-13-7-8-14(17-13)11-3-5-12(15)6-4-11/h3-8,10,16H,9H2,1-2H3
InChIKeyUICQUINEDGUAAE-UHFFFAOYSA-N
MW341.19 g/mol
LogP3.70
Rot. Bonds4

About 1-[5-(4-iodophenyl)furan-2-yl]-N-methylpropan-2-amine

1-[5-(4-iodophenyl)furan-2-yl]-N-methylpropan-2-amine (PubChem CID 55180352) has the molecular formula C14H16INO and a molecular weight of 341.19 g/mol. Its IUPAC name is 1-[5-(4-iodophenyl)furan-2-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[5-(4-iodophenyl)furan-2-yl]-N-methylpropan-2-amine
PubChem CID55180352
Molecular FormulaC14H16INO
Molecular Weight341.19 g/mol
Exact Mass341.03
IUPAC Name1-[5-(4-iodophenyl)furan-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc(-c2ccc(I)cc2)o1
InChIInChI=1S/C14H16INO/c1-10(16-2)9-13-7-8-14(17-13)11-3-5-12(15)6-4-11/h3-8,10,16H,9H2,1-2H3
InChIKeyUICQUINEDGUAAE-UHFFFAOYSA-N
XLogP3.70
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 53.70
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 1-[5-(4-iodophenyl)furan-2-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[5-(4-iodophenyl)furan-2-yl]-N-methylpropan-2-amine (CID 55180352) is 1-[5-(4-iodophenyl)furan-2-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[5-(4-iodophenyl)furan-2-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[5-(4-iodophenyl)furan-2-yl]-N-methylpropan-2-amine is CNC(C)Cc1ccc(-c2ccc(I)cc2)o1.
What is the InChIKey of 1-[5-(4-iodophenyl)furan-2-yl]-N-methylpropan-2-amine?
The InChIKey is UICQUINEDGUAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16INO/c1-10(16-2)9-13-7-8-14(17-13)11-3-5-12(15)6-4-11/h3-8,10,16H,9H2,1-2H3.
What are the key properties of 1-[5-(4-iodophenyl)furan-2-yl]-N-methylpropan-2-amine?
1-[5-(4-iodophenyl)furan-2-yl]-N-methylpropan-2-amine has a molecular weight of 341.19 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-iodophenyl)furan-2-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 55180352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).