1-[5-(4-iodophenyl)thiophen-2-yl]-N-methylmethanamine

C12H12INS — CID 43287320

IUPAC1-[5-(4-iodophenyl)thiophen-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(-c2ccc(I)cc2)s1
InChIInChI=1S/C12H12INS/c1-14-8-11-6-7-12(15-11)9-2-4-10(13)5-3-9/h2-7,14H,8H2,1H3
InChIKeyRIWMTOBDQOKTJQ-UHFFFAOYSA-N
MW329.21 g/mol
LogP3.74
Rot. Bonds3

About 1-[5-(4-iodophenyl)thiophen-2-yl]-N-methylmethanamine

1-[5-(4-iodophenyl)thiophen-2-yl]-N-methylmethanamine (PubChem CID 43287320) has the molecular formula C12H12INS and a molecular weight of 329.21 g/mol. Its IUPAC name is 1-[5-(4-iodophenyl)thiophen-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(4-iodophenyl)thiophen-2-yl]-N-methylmethanamine
PubChem CID43287320
Molecular FormulaC12H12INS
Molecular Weight329.21 g/mol
Exact Mass328.97
IUPAC Name1-[5-(4-iodophenyl)thiophen-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(-c2ccc(I)cc2)s1
InChIInChI=1S/C12H12INS/c1-14-8-11-6-7-12(15-11)9-2-4-10(13)5-3-9/h2-7,14H,8H2,1H3
InChIKeyRIWMTOBDQOKTJQ-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 53.74
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-(4-iodophenyl)thiophen-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(4-iodophenyl)thiophen-2-yl]-N-methylmethanamine (CID 43287320) is 1-[5-(4-iodophenyl)thiophen-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(4-iodophenyl)thiophen-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(4-iodophenyl)thiophen-2-yl]-N-methylmethanamine is CNCc1ccc(-c2ccc(I)cc2)s1.
What is the InChIKey of 1-[5-(4-iodophenyl)thiophen-2-yl]-N-methylmethanamine?
The InChIKey is RIWMTOBDQOKTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12INS/c1-14-8-11-6-7-12(15-11)9-2-4-10(13)5-3-9/h2-7,14H,8H2,1H3.
What are the key properties of 1-[5-(4-iodophenyl)thiophen-2-yl]-N-methylmethanamine?
1-[5-(4-iodophenyl)thiophen-2-yl]-N-methylmethanamine has a molecular weight of 329.21 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-iodophenyl)thiophen-2-yl]-N-methylmethanamine is sourced from PubChem (CID 43287320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).