N-[(5-iodothiophen-3-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine

C13H16INOS — CID 79692841

IUPACN-[(5-iodothiophen-3-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1csc(I)c1)c1ccc(C)o1
InChIInChI=1S/C13H16INOS/c1-3-6-15-13(10-7-12(14)17-8-10)11-5-4-9(2)16-11/h4-5,7-8,13,15H,3,6H2,1-2H3
InChIKeyHXUWRBKRZNBKHJ-UHFFFAOYSA-N
MW361.25 g/mol
LogP4.34
Rot. Bonds5

About N-[(5-iodothiophen-3-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine

N-[(5-iodothiophen-3-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine (PubChem CID 79692841) has the molecular formula C13H16INOS and a molecular weight of 361.25 g/mol. Its IUPAC name is N-[(5-iodothiophen-3-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-iodothiophen-3-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine
PubChem CID79692841
Molecular FormulaC13H16INOS
Molecular Weight361.25 g/mol
Exact Mass361.00
IUPAC NameN-[(5-iodothiophen-3-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1csc(I)c1)c1ccc(C)o1
InChIInChI=1S/C13H16INOS/c1-3-6-15-13(10-7-12(14)17-8-10)11-5-4-9(2)16-11/h4-5,7-8,13,15H,3,6H2,1-2H3
InChIKeyHXUWRBKRZNBKHJ-UHFFFAOYSA-N
XLogP4.34
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.25
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820178
N-[(4-butan-2-ylphenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine
CID 79691128
N-[(3-chloro-4-methylphenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine
CID 107561776
N-[(3,5-dibromophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 107979814
N-[(5-methylfuran-2-yl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 104991414
N-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 65296874
N-[(4-fluoro-3-methylphenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine
CID 79747223
N-[(5-iodothiophen-3-yl)-(4-methoxy-2-methylphenyl)methyl]propan-1-amine
CID 79693925
N-[(3,5-dimethylthiophen-2-yl)-(5-iodothiophen-3-yl)methyl]propan-1-amine
CID 81156181
N-[(3-fluorophenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine
CID 115791930
N-[(2,5-diethylphenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine
CID 79691318
N-[(3-bromo-4-ethoxyphenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine
CID 104657751

Frequently Asked Questions

What is the IUPAC name of N-[(5-iodothiophen-3-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-iodothiophen-3-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine (CID 79692841) is N-[(5-iodothiophen-3-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-iodothiophen-3-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-iodothiophen-3-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine is CCCNC(c1csc(I)c1)c1ccc(C)o1.
What is the InChIKey of N-[(5-iodothiophen-3-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine?
The InChIKey is HXUWRBKRZNBKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16INOS/c1-3-6-15-13(10-7-12(14)17-8-10)11-5-4-9(2)16-11/h4-5,7-8,13,15H,3,6H2,1-2H3.
What are the key properties of N-[(5-iodothiophen-3-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine?
N-[(5-iodothiophen-3-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine has a molecular weight of 361.25 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-iodothiophen-3-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 79692841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).