1-[5-(3-bromo-4-iodophenyl)thiophen-2-yl]-2-methylpropan-1-amine

C14H15BrINS — CID 114262318

IUPAC1-[5-(3-bromo-4-iodophenyl)thiophen-2-yl]-2-methylpropan-1-amine
SMILESCC(C)C(N)c1ccc(-c2ccc(I)c(Br)c2)s1
InChIInChI=1S/C14H15BrINS/c1-8(2)14(17)13-6-5-12(18-13)9-3-4-11(16)10(15)7-9/h3-8,14H,17H2,1-2H3
InChIKeyLYXPGODTKBSMMR-UHFFFAOYSA-N
MW436.16 g/mol
LogP5.44
Rot. Bonds3

About 1-[5-(3-bromo-4-iodophenyl)thiophen-2-yl]-2-methylpropan-1-amine

1-[5-(3-bromo-4-iodophenyl)thiophen-2-yl]-2-methylpropan-1-amine (PubChem CID 114262318) has the molecular formula C14H15BrINS and a molecular weight of 436.16 g/mol. Its IUPAC name is 1-[5-(3-bromo-4-iodophenyl)thiophen-2-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(3-bromo-4-iodophenyl)thiophen-2-yl]-2-methylpropan-1-amine
PubChem CID114262318
Molecular FormulaC14H15BrINS
Molecular Weight436.16 g/mol
Exact Mass434.92
IUPAC Name1-[5-(3-bromo-4-iodophenyl)thiophen-2-yl]-2-methylpropan-1-amine
SMILESCC(C)C(N)c1ccc(-c2ccc(I)c(Br)c2)s1
InChIInChI=1S/C14H15BrINS/c1-8(2)14(17)13-6-5-12(18-13)9-3-4-11(16)10(15)7-9/h3-8,14H,17H2,1-2H3
InChIKeyLYXPGODTKBSMMR-UHFFFAOYSA-N
XLogP5.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.16
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-[5-(2,4,6-tribromophenyl)thiophen-2-yl]propan-1-amine
CID 43331832
1-[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-2-methylpropan-1-amine
CID 107577065
1-[5-(3,5-dimethylphenyl)thiophen-2-yl]-2-methylpropan-1-amine
CID 43154369
1-[5-[3-bromo-5-(trifluoromethyl)phenyl]thiophen-2-yl]-2-methylpropan-1-amine
CID 65490846
1-[5-(3,5-difluorophenyl)thiophen-2-yl]-2-methylpropan-1-amine
CID 43154231
2-methyl-1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine
CID 43154485
1-[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]-2-methylpropan-1-amine
CID 114260897
1-(3-bromo-4-iodophenyl)ethanamine
CID 126971704
2-methyl-1-[5-(2-methylphenyl)thiophen-2-yl]propan-1-amine
CID 43363500
1-[5-(4-bromo-3-fluorophenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine
CID 65437978
1-[5-(4-bromo-3-fluorophenyl)thiophen-2-yl]-N-methylethanamine
CID 65437979
1-[5-(2,3-dichlorophenyl)thiophen-2-yl]-2-methylpropan-1-amine
CID 43154444

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-bromo-4-iodophenyl)thiophen-2-yl]-2-methylpropan-1-amine?
The IUPAC name of 1-[5-(3-bromo-4-iodophenyl)thiophen-2-yl]-2-methylpropan-1-amine (CID 114262318) is 1-[5-(3-bromo-4-iodophenyl)thiophen-2-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-[5-(3-bromo-4-iodophenyl)thiophen-2-yl]-2-methylpropan-1-amine?
The canonical SMILES for 1-[5-(3-bromo-4-iodophenyl)thiophen-2-yl]-2-methylpropan-1-amine is CC(C)C(N)c1ccc(-c2ccc(I)c(Br)c2)s1.
What is the InChIKey of 1-[5-(3-bromo-4-iodophenyl)thiophen-2-yl]-2-methylpropan-1-amine?
The InChIKey is LYXPGODTKBSMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrINS/c1-8(2)14(17)13-6-5-12(18-13)9-3-4-11(16)10(15)7-9/h3-8,14H,17H2,1-2H3.
What are the key properties of 1-[5-(3-bromo-4-iodophenyl)thiophen-2-yl]-2-methylpropan-1-amine?
1-[5-(3-bromo-4-iodophenyl)thiophen-2-yl]-2-methylpropan-1-amine has a molecular weight of 436.16 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-bromo-4-iodophenyl)thiophen-2-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 114262318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).