1-[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]-2-methylpropan-1-amine

C14H15FINS — CID 114260897

IUPAC1-[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]-2-methylpropan-1-amine
SMILESCC(C)C(N)c1ccc(-c2cccc(F)c2I)s1
InChIInChI=1S/C14H15FINS/c1-8(2)14(17)12-7-6-11(18-12)9-4-3-5-10(15)13(9)16/h3-8,14H,17H2,1-2H3
InChIKeyAXIUUTNLJVNXAO-UHFFFAOYSA-N
MW375.25 g/mol
LogP4.81
Rot. Bonds3

About 1-[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]-2-methylpropan-1-amine

1-[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]-2-methylpropan-1-amine (PubChem CID 114260897) has the molecular formula C14H15FINS and a molecular weight of 375.25 g/mol. Its IUPAC name is 1-[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]-2-methylpropan-1-amine
PubChem CID114260897
Molecular FormulaC14H15FINS
Molecular Weight375.25 g/mol
Exact Mass375.00
IUPAC Name1-[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]-2-methylpropan-1-amine
SMILESCC(C)C(N)c1ccc(-c2cccc(F)c2I)s1
InChIInChI=1S/C14H15FINS/c1-8(2)14(17)12-7-6-11(18-12)9-4-3-5-10(15)13(9)16/h3-8,14H,17H2,1-2H3
InChIKeyAXIUUTNLJVNXAO-UHFFFAOYSA-N
XLogP4.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.25
LogP ≤ 54.81
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-(2,3-dichlorophenyl)thiophen-2-yl]-2-methylpropan-1-amine
CID 43154444
2-methyl-1-[5-(2-methylphenyl)thiophen-2-yl]propan-1-amine
CID 43363500
1-[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]-N-methylpropan-1-amine
CID 114260892
N-[[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]methyl]propan-2-amine
CID 114260893
1-[5-(3-chloro-2-fluorophenyl)thiophen-2-yl]ethanamine
CID 43154483
1-[5-(3,5-difluorophenyl)thiophen-2-yl]-2-methylpropan-1-amine
CID 43154231
2-methyl-1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine
CID 43154485
1-[5-(2,3-difluorophenyl)thiophen-2-yl]-N-ethyl-2-methylpropan-1-amine
CID 63400861
1-[5-(3-bromo-4-iodophenyl)thiophen-2-yl]-2-methylpropan-1-amine
CID 114262318
1-[5-(3,5-dimethylphenyl)thiophen-2-yl]-2-methylpropan-1-amine
CID 43154369
3-[5-(2-chlorophenyl)thiophen-2-yl]butan-1-amine
CID 82542688
1-[5-(4-chloro-2-fluorophenyl)thiophen-2-yl]ethanamine
CID 43154378

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]-2-methylpropan-1-amine?
The IUPAC name of 1-[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]-2-methylpropan-1-amine (CID 114260897) is 1-[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]-2-methylpropan-1-amine?
The canonical SMILES for 1-[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]-2-methylpropan-1-amine is CC(C)C(N)c1ccc(-c2cccc(F)c2I)s1.
What is the InChIKey of 1-[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]-2-methylpropan-1-amine?
The InChIKey is AXIUUTNLJVNXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FINS/c1-8(2)14(17)12-7-6-11(18-12)9-4-3-5-10(15)13(9)16/h3-8,14H,17H2,1-2H3.
What are the key properties of 1-[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]-2-methylpropan-1-amine?
1-[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]-2-methylpropan-1-amine has a molecular weight of 375.25 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 114260897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).