N-[(5-iodothiophen-3-yl)-phenylmethyl]ethanamine

C13H14INS — CID 79693571

IUPACN-[(5-iodothiophen-3-yl)-phenylmethyl]ethanamine
SMILESCCNC(c1ccccc1)c1csc(I)c1
InChIInChI=1S/C13H14INS/c1-2-15-13(10-6-4-3-5-7-10)11-8-12(14)16-9-11/h3-9,13,15H,2H2,1H3
InChIKeyYWCFJJLXIJTVTK-UHFFFAOYSA-N
MW343.23 g/mol
LogP4.05
Rot. Bonds4

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

N-[(5-iodothiophen-3-yl)-phenylmethyl]ethanamine (PubChem CID 79693571) has the molecular formula C13H14INS and a molecular weight of 343.23 g/mol. Its IUPAC name is N-[(5-iodothiophen-3-yl)-phenylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(5-iodothiophen-3-yl)-phenylmethyl]ethanamine
PubChem CID79693571
Molecular FormulaC13H14INS
Molecular Weight343.23 g/mol
Exact Mass342.99
IUPAC NameN-[(5-iodothiophen-3-yl)-phenylmethyl]ethanamine
SMILESCCNC(c1ccccc1)c1csc(I)c1
InChIInChI=1S/C13H14INS/c1-2-15-13(10-6-4-3-5-7-10)11-8-12(14)16-9-11/h3-9,13,15H,2H2,1H3
InChIKeyYWCFJJLXIJTVTK-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 54.05
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

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-[furan-3-yl-(5-iodothiophen-3-yl)methyl]ethanamine
CID 115855580
N-[(3-chloro-4-methylphenyl)-(5-iodothiophen-3-yl)methyl]ethanamine
CID 107561865
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-[1-benzothiophen-3-yl-(5-iodothiophen-3-yl)methyl]ethanamine
CID 79693289
N-[(4-cyclobutylphenyl)-(5-iodothiophen-3-yl)methyl]ethanamine
CID 105044981
N-[(5-iodothiophen-3-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 105043247
N-benzhydrylethanamine;ethane
CID 142974710
N-[(5-iodothiophen-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 115808897
N-[(3-fluoro-4-methoxyphenyl)-(5-iodothiophen-3-yl)methyl]ethanamine
CID 79694017

Frequently Asked Questions

What is the IUPAC name of N-[(5-iodothiophen-3-yl)-phenylmethyl]ethanamine?
The IUPAC name of N-[(5-iodothiophen-3-yl)-phenylmethyl]ethanamine (CID 79693571) is N-[(5-iodothiophen-3-yl)-phenylmethyl]ethanamine.
What is the SMILES notation for N-[(5-iodothiophen-3-yl)-phenylmethyl]ethanamine?
The canonical SMILES for N-[(5-iodothiophen-3-yl)-phenylmethyl]ethanamine is CCNC(c1ccccc1)c1csc(I)c1.
What is the InChIKey of N-[(5-iodothiophen-3-yl)-phenylmethyl]ethanamine?
The InChIKey is YWCFJJLXIJTVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14INS/c1-2-15-13(10-6-4-3-5-7-10)11-8-12(14)16-9-11/h3-9,13,15H,2H2,1H3.
What are the key properties of N-[(5-iodothiophen-3-yl)-phenylmethyl]ethanamine?
N-[(5-iodothiophen-3-yl)-phenylmethyl]ethanamine has a molecular weight of 343.23 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-iodothiophen-3-yl)-phenylmethyl]ethanamine is sourced from PubChem (CID 79693571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).