1-[5-(2-iodophenyl)thiophen-2-yl]butan-1-amine

C14H16INS — CID 43154404

IUPAC1-[5-(2-iodophenyl)thiophen-2-yl]butan-1-amine
SMILESCCCC(N)c1ccc(-c2ccccc2I)s1
InChIInChI=1S/C14H16INS/c1-2-5-12(16)14-9-8-13(17-14)10-6-3-4-7-11(10)15/h3-4,6-9,12H,2,5,16H2,1H3
InChIKeyBESAYMKAOOXNGQ-UHFFFAOYSA-N
MW357.26 g/mol
LogP4.82
Rot. Bonds4

About 1-[5-(2-iodophenyl)thiophen-2-yl]butan-1-amine

1-[5-(2-iodophenyl)thiophen-2-yl]butan-1-amine (PubChem CID 43154404) has the molecular formula C14H16INS and a molecular weight of 357.26 g/mol. Its IUPAC name is 1-[5-(2-iodophenyl)thiophen-2-yl]butan-1-amine.

Molecular Properties

Compound Name1-[5-(2-iodophenyl)thiophen-2-yl]butan-1-amine
PubChem CID43154404
Molecular FormulaC14H16INS
Molecular Weight357.26 g/mol
Exact Mass357.00
IUPAC Name1-[5-(2-iodophenyl)thiophen-2-yl]butan-1-amine
SMILESCCCC(N)c1ccc(-c2ccccc2I)s1
InChIInChI=1S/C14H16INS/c1-2-5-12(16)14-9-8-13(17-14)10-6-3-4-7-11(10)15/h3-4,6-9,12H,2,5,16H2,1H3
InChIKeyBESAYMKAOOXNGQ-UHFFFAOYSA-N
XLogP4.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.26
LogP ≤ 54.82
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-(2-iodophenyl)thiophen-2-yl]butan-1-amine?
The IUPAC name of 1-[5-(2-iodophenyl)thiophen-2-yl]butan-1-amine (CID 43154404) is 1-[5-(2-iodophenyl)thiophen-2-yl]butan-1-amine.
What is the SMILES notation for 1-[5-(2-iodophenyl)thiophen-2-yl]butan-1-amine?
The canonical SMILES for 1-[5-(2-iodophenyl)thiophen-2-yl]butan-1-amine is CCCC(N)c1ccc(-c2ccccc2I)s1.
What is the InChIKey of 1-[5-(2-iodophenyl)thiophen-2-yl]butan-1-amine?
The InChIKey is BESAYMKAOOXNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16INS/c1-2-5-12(16)14-9-8-13(17-14)10-6-3-4-7-11(10)15/h3-4,6-9,12H,2,5,16H2,1H3.
What are the key properties of 1-[5-(2-iodophenyl)thiophen-2-yl]butan-1-amine?
1-[5-(2-iodophenyl)thiophen-2-yl]butan-1-amine has a molecular weight of 357.26 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-iodophenyl)thiophen-2-yl]butan-1-amine is sourced from PubChem (CID 43154404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).