1-(5-chlorofuran-2-yl)-2-(4-iodophenyl)ethanamine

C12H11ClINO — CID 106692144

IUPAC1-(5-chlorofuran-2-yl)-2-(4-iodophenyl)ethanamine
SMILESNC(Cc1ccc(I)cc1)c1ccc(Cl)o1
InChIInChI=1S/C12H11ClINO/c13-12-6-5-11(16-12)10(15)7-8-1-3-9(14)4-2-8/h1-6,10H,7,15H2
InChIKeyDAXUFADDOOSLRD-UHFFFAOYSA-N
MW347.58 g/mol
LogP3.78
Rot. Bonds3

About 1-(5-chlorofuran-2-yl)-2-(4-iodophenyl)ethanamine

1-(5-chlorofuran-2-yl)-2-(4-iodophenyl)ethanamine (PubChem CID 106692144) has the molecular formula C12H11ClINO and a molecular weight of 347.58 g/mol. Its IUPAC name is 1-(5-chlorofuran-2-yl)-2-(4-iodophenyl)ethanamine.

Molecular Properties

Compound Name1-(5-chlorofuran-2-yl)-2-(4-iodophenyl)ethanamine
PubChem CID106692144
Molecular FormulaC12H11ClINO
Molecular Weight347.58 g/mol
Exact Mass346.96
IUPAC Name1-(5-chlorofuran-2-yl)-2-(4-iodophenyl)ethanamine
SMILESNC(Cc1ccc(I)cc1)c1ccc(Cl)o1
InChIInChI=1S/C12H11ClINO/c13-12-6-5-11(16-12)10(15)7-8-1-3-9(14)4-2-8/h1-6,10H,7,15H2
InChIKeyDAXUFADDOOSLRD-UHFFFAOYSA-N
XLogP3.78
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.58
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(5-chlorofuran-2-yl)-2-(4-iodophenyl)ethyl]hydrazine
CID 106694448
2-(4-iodophenyl)-1-(5-methylfuran-2-yl)ethanamine
CID 115864084
1-(5-chlorofuran-2-yl)-2-(3-chlorophenyl)ethanamine
CID 106687882
1,2-bis(4-iodophenyl)ethanamine
CID 115863933
2-amino-2-(5-chlorofuran-2-yl)ethanol
CID 55295388
(1S)-1-(5-chlorofuran-2-yl)propan-1-amine
CID 131197963
1-(5-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanamine
CID 115864081
1-(5-chlorofuran-2-yl)butan-1-amine
CID 55295199
1-(5-chlorofuran-2-yl)-2-(2,5-dichlorophenyl)ethanamine
CID 106692129
1-(3-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanamine
CID 115864309
2-(4-bromo-2-chlorophenyl)-1-(5-chlorofuran-2-yl)ethanamine
CID 106693067
(1S)-1-(5-chlorofuran-2-yl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313296

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorofuran-2-yl)-2-(4-iodophenyl)ethanamine?
The IUPAC name of 1-(5-chlorofuran-2-yl)-2-(4-iodophenyl)ethanamine (CID 106692144) is 1-(5-chlorofuran-2-yl)-2-(4-iodophenyl)ethanamine.
What is the SMILES notation for 1-(5-chlorofuran-2-yl)-2-(4-iodophenyl)ethanamine?
The canonical SMILES for 1-(5-chlorofuran-2-yl)-2-(4-iodophenyl)ethanamine is NC(Cc1ccc(I)cc1)c1ccc(Cl)o1.
What is the InChIKey of 1-(5-chlorofuran-2-yl)-2-(4-iodophenyl)ethanamine?
The InChIKey is DAXUFADDOOSLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClINO/c13-12-6-5-11(16-12)10(15)7-8-1-3-9(14)4-2-8/h1-6,10H,7,15H2.
What are the key properties of 1-(5-chlorofuran-2-yl)-2-(4-iodophenyl)ethanamine?
1-(5-chlorofuran-2-yl)-2-(4-iodophenyl)ethanamine has a molecular weight of 347.58 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorofuran-2-yl)-2-(4-iodophenyl)ethanamine is sourced from PubChem (CID 106692144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).