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

C13H14INO — CID 115864084

IUPAC2-(4-iodophenyl)-1-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(N)Cc2ccc(I)cc2)o1
InChIInChI=1S/C13H14INO/c1-9-2-7-13(16-9)12(15)8-10-3-5-11(14)6-4-10/h2-7,12H,8,15H2,1H3
InChIKeyZIDHILKAIHWJQF-UHFFFAOYSA-N
MW327.17 g/mol
LogP3.44
Rot. Bonds3

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

2-(4-iodophenyl)-1-(5-methylfuran-2-yl)ethanamine (PubChem CID 115864084) has the molecular formula C13H14INO and a molecular weight of 327.17 g/mol. Its IUPAC name is 2-(4-iodophenyl)-1-(5-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-iodophenyl)-1-(5-methylfuran-2-yl)ethanamine
PubChem CID115864084
Molecular FormulaC13H14INO
Molecular Weight327.17 g/mol
Exact Mass327.01
IUPAC Name2-(4-iodophenyl)-1-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(N)Cc2ccc(I)cc2)o1
InChIInChI=1S/C13H14INO/c1-9-2-7-13(16-9)12(15)8-10-3-5-11(14)6-4-10/h2-7,12H,8,15H2,1H3
InChIKeyZIDHILKAIHWJQF-UHFFFAOYSA-N
XLogP3.44
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 53.44
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)ethanamine
CID 106692144
2-(4-iodophenyl)-1-(4-methylphenyl)ethanamine
CID 65477285
1,2-bis(4-iodophenyl)ethanamine
CID 115863933
2-(3-fluoro-4-methoxyphenyl)-1-(5-methylfuran-2-yl)ethanamine
CID 115829621
ethane;(1R)-1-(5-methylfuran-2-yl)propan-1-amine
CID 142856729
(1S)-2-fluoro-1-(5-methylfuran-2-yl)ethanamine;hydrochloride
CID 171212357
2-(4-ethylphenyl)-1-(4-iodophenyl)ethanamine
CID 115802841
2-(4-iodophenyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 115864382
1-(2,4-dimethylphenyl)-2-(4-iodophenyl)ethanamine
CID 115864016
2-(4-fluoro-2-methylphenyl)-1-(5-methylfuran-2-yl)ethanamine
CID 105051024
1-(5-methylfuran-2-yl)-2-naphthalen-1-ylethanamine
CID 61079585
2-ethoxy-1-(5-methylfuran-2-yl)ethanamine
CID 16793106

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-1-(5-methylfuran-2-yl)ethanamine?
The IUPAC name of 2-(4-iodophenyl)-1-(5-methylfuran-2-yl)ethanamine (CID 115864084) is 2-(4-iodophenyl)-1-(5-methylfuran-2-yl)ethanamine.
What is the SMILES notation for 2-(4-iodophenyl)-1-(5-methylfuran-2-yl)ethanamine?
The canonical SMILES for 2-(4-iodophenyl)-1-(5-methylfuran-2-yl)ethanamine is Cc1ccc(C(N)Cc2ccc(I)cc2)o1.
What is the InChIKey of 2-(4-iodophenyl)-1-(5-methylfuran-2-yl)ethanamine?
The InChIKey is ZIDHILKAIHWJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14INO/c1-9-2-7-13(16-9)12(15)8-10-3-5-11(14)6-4-10/h2-7,12H,8,15H2,1H3.
What are the key properties of 2-(4-iodophenyl)-1-(5-methylfuran-2-yl)ethanamine?
2-(4-iodophenyl)-1-(5-methylfuran-2-yl)ethanamine has a molecular weight of 327.17 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-1-(5-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 115864084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).