2-(furan-3-yl)-1-(2-iodophenyl)ethanamine

C12H12INO — CID 105030079

IUPAC2-(furan-3-yl)-1-(2-iodophenyl)ethanamine
SMILESNC(Cc1ccoc1)c1ccccc1I
InChIInChI=1S/C12H12INO/c13-11-4-2-1-3-10(11)12(14)7-9-5-6-15-8-9/h1-6,8,12H,7,14H2
InChIKeyBXPRDLNMPVNOMZ-UHFFFAOYSA-N
MW313.14 g/mol
LogP3.13
Rot. Bonds3

About 2-(furan-3-yl)-1-(2-iodophenyl)ethanamine

2-(furan-3-yl)-1-(2-iodophenyl)ethanamine (PubChem CID 105030079) has the molecular formula C12H12INO and a molecular weight of 313.14 g/mol. Its IUPAC name is 2-(furan-3-yl)-1-(2-iodophenyl)ethanamine.

Molecular Properties

Compound Name2-(furan-3-yl)-1-(2-iodophenyl)ethanamine
PubChem CID105030079
Molecular FormulaC12H12INO
Molecular Weight313.14 g/mol
Exact Mass313.00
IUPAC Name2-(furan-3-yl)-1-(2-iodophenyl)ethanamine
SMILESNC(Cc1ccoc1)c1ccccc1I
InChIInChI=1S/C12H12INO/c13-11-4-2-1-3-10(11)12(14)7-9-5-6-15-8-9/h1-6,8,12H,7,14H2
InChIKeyBXPRDLNMPVNOMZ-UHFFFAOYSA-N
XLogP3.13
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 53.13
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-(3-chloro-2-methylphenyl)-2-(furan-3-yl)ethanamine
CID 107103021
2-(furan-3-yl)-1-quinolin-5-ylethanamine
CID 105177642
1-(2-iodophenyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 115821792
1-(2-aminophenyl)-2-(furan-3-yl)ethanol
CID 83173107
2-(2-chlorophenyl)-3-(furan-3-yl)propan-1-amine
CID 83182315
1-(2-bromophenyl)-2-(furan-3-yl)ethanol
CID 83171625
1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanamine
CID 83183260
1-(2-iodophenyl)-2-quinolin-4-ylethanamine
CID 104997408
2-(furan-3-yl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105030125
1-(2-fluoro-4-methoxyphenyl)-2-(furan-3-yl)ethanamine
CID 83182670
4-[1-amino-2-(furan-3-yl)ethyl]-N,N-dimethylaniline
CID 105177745
2-(furan-3-yl)-1-(5-methylpyrimidin-2-yl)ethanamine
CID 83182184

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-1-(2-iodophenyl)ethanamine?
The IUPAC name of 2-(furan-3-yl)-1-(2-iodophenyl)ethanamine (CID 105030079) is 2-(furan-3-yl)-1-(2-iodophenyl)ethanamine.
What is the SMILES notation for 2-(furan-3-yl)-1-(2-iodophenyl)ethanamine?
The canonical SMILES for 2-(furan-3-yl)-1-(2-iodophenyl)ethanamine is NC(Cc1ccoc1)c1ccccc1I.
What is the InChIKey of 2-(furan-3-yl)-1-(2-iodophenyl)ethanamine?
The InChIKey is BXPRDLNMPVNOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12INO/c13-11-4-2-1-3-10(11)12(14)7-9-5-6-15-8-9/h1-6,8,12H,7,14H2.
What are the key properties of 2-(furan-3-yl)-1-(2-iodophenyl)ethanamine?
2-(furan-3-yl)-1-(2-iodophenyl)ethanamine has a molecular weight of 313.14 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-1-(2-iodophenyl)ethanamine is sourced from PubChem (CID 105030079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).