1-[5-(4-iodophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine

C17H22INS — CID 43288084

IUPAC1-[5-(4-iodophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(-c2ccc(I)cc2)s1)C(C)C
InChIInChI=1S/C17H22INS/c1-4-11-19-17(12(2)3)16-10-9-15(20-16)13-5-7-14(18)8-6-13/h5-10,12,17,19H,4,11H2,1-3H3
InChIKeyCCBYNLGHNMRGMG-UHFFFAOYSA-N
MW399.34 g/mol
LogP5.72
Rot. Bonds6

About 1-[5-(4-iodophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine

1-[5-(4-iodophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine (PubChem CID 43288084) has the molecular formula C17H22INS and a molecular weight of 399.34 g/mol. Its IUPAC name is 1-[5-(4-iodophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(4-iodophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
PubChem CID43288084
Molecular FormulaC17H22INS
Molecular Weight399.34 g/mol
Exact Mass399.05
IUPAC Name1-[5-(4-iodophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(-c2ccc(I)cc2)s1)C(C)C
InChIInChI=1S/C17H22INS/c1-4-11-19-17(12(2)3)16-10-9-15(20-16)13-5-7-14(18)8-6-13/h5-10,12,17,19H,4,11H2,1-3H3
InChIKeyCCBYNLGHNMRGMG-UHFFFAOYSA-N
XLogP5.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.34
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[5-(4-iodophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine 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-(3-ethylphenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
CID 43287985
1-[5-(3-chloro-4-fluorophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
CID 43288186
1-(5-ethylthiophen-2-yl)-2-methyl-N-propylpropan-1-amine
CID 43494310
1-[5-(4-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 43287473
1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
CID 81280056
1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
CID 43287835
1-[5-(2-bromo-4-chlorophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
CID 81279710
N-[cyclopropyl-[5-(4-iodophenyl)thiophen-2-yl]methyl]ethanamine
CID 43288082
N-ethyl-2-methyl-1-(5-pyridin-3-ylthiophen-2-yl)propan-1-amine
CID 107586196
1-[5-(4-tert-butylphenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine
CID 43287664
1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 63400689
1-[5-(2,3-difluorophenyl)thiophen-2-yl]-N-ethyl-2-methylpropan-1-amine
CID 63400861

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-iodophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 1-[5-(4-iodophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine (CID 43288084) is 1-[5-(4-iodophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-[5-(4-iodophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 1-[5-(4-iodophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine is CCCNC(c1ccc(-c2ccc(I)cc2)s1)C(C)C.
What is the InChIKey of 1-[5-(4-iodophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine?
The InChIKey is CCBYNLGHNMRGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22INS/c1-4-11-19-17(12(2)3)16-10-9-15(20-16)13-5-7-14(18)8-6-13/h5-10,12,17,19H,4,11H2,1-3H3.
What are the key properties of 1-[5-(4-iodophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine?
1-[5-(4-iodophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine has a molecular weight of 399.34 g/mol, XLogP of 5.72, 6 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]-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 43288084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).