N-[furan-3-yl-(5-iodothiophen-3-yl)methyl]ethanamine

C11H12INOS — CID 115855580

IUPACN-[furan-3-yl-(5-iodothiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1ccoc1)c1csc(I)c1
InChIInChI=1S/C11H12INOS/c1-2-13-11(8-3-4-14-6-8)9-5-10(12)15-7-9/h3-7,11,13H,2H2,1H3
InChIKeyNJFAESDWSMONMA-UHFFFAOYSA-N
MW333.19 g/mol
LogP3.64
Rot. Bonds4

About N-[furan-3-yl-(5-iodothiophen-3-yl)methyl]ethanamine

N-[furan-3-yl-(5-iodothiophen-3-yl)methyl]ethanamine (PubChem CID 115855580) has the molecular formula C11H12INOS and a molecular weight of 333.19 g/mol. Its IUPAC name is N-[furan-3-yl-(5-iodothiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[furan-3-yl-(5-iodothiophen-3-yl)methyl]ethanamine
PubChem CID115855580
Molecular FormulaC11H12INOS
Molecular Weight333.19 g/mol
Exact Mass332.97
IUPAC NameN-[furan-3-yl-(5-iodothiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1ccoc1)c1csc(I)c1
InChIInChI=1S/C11H12INOS/c1-2-13-11(8-3-4-14-6-8)9-5-10(12)15-7-9/h3-7,11,13H,2H2,1H3
InChIKeyNJFAESDWSMONMA-UHFFFAOYSA-N
XLogP3.64
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.64
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-[furan-3-yl-(5-methylthiophen-3-yl)methyl]ethanamine
CID 65104639
N-[(5-iodothiophen-3-yl)-phenylmethyl]ethanamine
CID 79693571
N-[(5-iodothiophen-3-yl)-(4-methylphenyl)methyl]ethanamine
CID 79693662
N-[(4-butan-2-ylphenyl)-(5-iodothiophen-3-yl)methyl]ethanamine
CID 79693011
N-[(5-iodothiophen-3-yl)-[4-(2-methylbutan-2-yl)phenyl]methyl]ethanamine
CID 79691325
N-[(3,4-diethylphenyl)-(5-iodothiophen-3-yl)methyl]ethanamine
CID 115482360
N-[furan-3-yl-(4-propan-2-ylphenyl)methyl]ethanamine
CID 43625464
N-[(5-iodothiophen-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 115808897
N-[(3-chloro-4-methylphenyl)-(5-iodothiophen-3-yl)methyl]ethanamine
CID 107561865
N-[(4-cyclobutylphenyl)-(5-iodothiophen-3-yl)methyl]ethanamine
CID 105044981
6-[ethylamino-(5-iodothiophen-3-yl)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 79691305
N-[(3-fluoro-4-methoxyphenyl)-(5-iodothiophen-3-yl)methyl]ethanamine
CID 79694017

Frequently Asked Questions

What is the IUPAC name of N-[furan-3-yl-(5-iodothiophen-3-yl)methyl]ethanamine?
The IUPAC name of N-[furan-3-yl-(5-iodothiophen-3-yl)methyl]ethanamine (CID 115855580) is N-[furan-3-yl-(5-iodothiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[furan-3-yl-(5-iodothiophen-3-yl)methyl]ethanamine?
The canonical SMILES for N-[furan-3-yl-(5-iodothiophen-3-yl)methyl]ethanamine is CCNC(c1ccoc1)c1csc(I)c1.
What is the InChIKey of N-[furan-3-yl-(5-iodothiophen-3-yl)methyl]ethanamine?
The InChIKey is NJFAESDWSMONMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12INOS/c1-2-13-11(8-3-4-14-6-8)9-5-10(12)15-7-9/h3-7,11,13H,2H2,1H3.
What are the key properties of N-[furan-3-yl-(5-iodothiophen-3-yl)methyl]ethanamine?
N-[furan-3-yl-(5-iodothiophen-3-yl)methyl]ethanamine has a molecular weight of 333.19 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-3-yl-(5-iodothiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 115855580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).