2-(4-iodophenyl)-1-(4-methylsulfanylphenyl)ethanamine

C15H16INS — CID 115864349

IUPAC2-(4-iodophenyl)-1-(4-methylsulfanylphenyl)ethanamine
SMILESCSc1ccc(C(N)Cc2ccc(I)cc2)cc1
InChIInChI=1S/C15H16INS/c1-18-14-8-4-12(5-9-14)15(17)10-11-2-6-13(16)7-3-11/h2-9,15H,10,17H2,1H3
InChIKeyLWBXKCUMAXLBSO-UHFFFAOYSA-N
MW369.27 g/mol
LogP4.26
Rot. Bonds4

About 2-(4-iodophenyl)-1-(4-methylsulfanylphenyl)ethanamine

2-(4-iodophenyl)-1-(4-methylsulfanylphenyl)ethanamine (PubChem CID 115864349) has the molecular formula C15H16INS and a molecular weight of 369.27 g/mol. Its IUPAC name is 2-(4-iodophenyl)-1-(4-methylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-iodophenyl)-1-(4-methylsulfanylphenyl)ethanamine
PubChem CID115864349
Molecular FormulaC15H16INS
Molecular Weight369.27 g/mol
Exact Mass369.00
IUPAC Name2-(4-iodophenyl)-1-(4-methylsulfanylphenyl)ethanamine
SMILESCSc1ccc(C(N)Cc2ccc(I)cc2)cc1
InChIInChI=1S/C15H16INS/c1-18-14-8-4-12(5-9-14)15(17)10-11-2-6-13(16)7-3-11/h2-9,15H,10,17H2,1H3
InChIKeyLWBXKCUMAXLBSO-UHFFFAOYSA-N
XLogP4.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.27
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-iodophenyl)-1-(4-methylsulfanylphenyl)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

1,2-bis(4-iodophenyl)ethanamine
CID 115863933
2-(4-chlorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 79217380
1-(4-methylsulfanylphenyl)-2-phenylethanamine
CID 79217379
2-(4-ethylphenyl)-1-(4-iodophenyl)ethanamine
CID 115802841
2-(4-iodophenyl)-1-(4-methylphenyl)ethanamine
CID 65477285
2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 115800677
2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 115818932
2-(3-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 79217792
2-(3-fluoro-4-methoxyphenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 115829883
(1R)-1,2-bis(4-fluorophenyl)ethanamine
CID 42058912
2-(3,4-dimethoxyphenyl)-1-(4-iodophenyl)ethanamine
CID 61079391
3-methylsulfanyl-1-(4-methylsulfanylphenyl)propan-1-amine
CID 116831551

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-1-(4-methylsulfanylphenyl)ethanamine?
The IUPAC name of 2-(4-iodophenyl)-1-(4-methylsulfanylphenyl)ethanamine (CID 115864349) is 2-(4-iodophenyl)-1-(4-methylsulfanylphenyl)ethanamine.
What is the SMILES notation for 2-(4-iodophenyl)-1-(4-methylsulfanylphenyl)ethanamine?
The canonical SMILES for 2-(4-iodophenyl)-1-(4-methylsulfanylphenyl)ethanamine is CSc1ccc(C(N)Cc2ccc(I)cc2)cc1.
What is the InChIKey of 2-(4-iodophenyl)-1-(4-methylsulfanylphenyl)ethanamine?
The InChIKey is LWBXKCUMAXLBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16INS/c1-18-14-8-4-12(5-9-14)15(17)10-11-2-6-13(16)7-3-11/h2-9,15H,10,17H2,1H3.
What are the key properties of 2-(4-iodophenyl)-1-(4-methylsulfanylphenyl)ethanamine?
2-(4-iodophenyl)-1-(4-methylsulfanylphenyl)ethanamine has a molecular weight of 369.27 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-1-(4-methylsulfanylphenyl)ethanamine is sourced from PubChem (CID 115864349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).