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

C13H14INS — CID 115864382

IUPAC2-(4-iodophenyl)-1-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(N)Cc2ccc(I)cc2)s1
InChIInChI=1S/C13H14INS/c1-9-2-7-13(16-9)12(15)8-10-3-5-11(14)6-4-10/h2-7,12H,8,15H2,1H3
InChIKeyAOLHAXVNZSOZLX-UHFFFAOYSA-N
MW343.23 g/mol
LogP3.90
Rot. Bonds3

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

2-(4-iodophenyl)-1-(5-methylthiophen-2-yl)ethanamine (PubChem CID 115864382) has the molecular formula C13H14INS and a molecular weight of 343.23 g/mol. Its IUPAC name is 2-(4-iodophenyl)-1-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-iodophenyl)-1-(5-methylthiophen-2-yl)ethanamine
PubChem CID115864382
Molecular FormulaC13H14INS
Molecular Weight343.23 g/mol
Exact Mass342.99
IUPAC Name2-(4-iodophenyl)-1-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(N)Cc2ccc(I)cc2)s1
InChIInChI=1S/C13H14INS/c1-9-2-7-13(16-9)12(15)8-10-3-5-11(14)6-4-10/h2-7,12H,8,15H2,1H3
InChIKeyAOLHAXVNZSOZLX-UHFFFAOYSA-N
XLogP3.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-(4-iodophenyl)-1-(5-methylthiophen-2-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanamine
CID 115864081
1,2-bis(4-iodophenyl)ethanamine
CID 115863933
2-(4-iodophenyl)-1-(4-methylphenyl)ethanamine
CID 65477285
(4-iodophenyl)-(5-methylthiophen-2-yl)methanamine
CID 43124884
2-amino-2-(5-methylthiophen-2-yl)ethanol
CID 56828532
2-(4-ethylphenyl)-1-(4-iodophenyl)ethanamine
CID 115802841
(1R)-1-(5-methylthiophen-2-yl)propane-1,3-diamine;hydrochloride
CID 171202338
2-(4-iodophenyl)-1-(5-methylfuran-2-yl)ethanamine
CID 115864084
3-amino-3-(5-methylthiophen-2-yl)propanal
CID 142024929
1-(5-methylthiophen-2-yl)-2-naphthalen-1-ylethanamine
CID 61079214
2-(3-bromothiophen-2-yl)-1-(5-methylthiophen-2-yl)ethanamine
CID 115849210
2-(4-iodophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 115864349

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-1-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(4-iodophenyl)-1-(5-methylthiophen-2-yl)ethanamine (CID 115864382) is 2-(4-iodophenyl)-1-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(4-iodophenyl)-1-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(4-iodophenyl)-1-(5-methylthiophen-2-yl)ethanamine is Cc1ccc(C(N)Cc2ccc(I)cc2)s1.
What is the InChIKey of 2-(4-iodophenyl)-1-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is AOLHAXVNZSOZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14INS/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-methylthiophen-2-yl)ethanamine?
2-(4-iodophenyl)-1-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 343.23 g/mol, XLogP of 3.90, 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-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 115864382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).