N-[(5-iodofuran-2-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine

C16H14INOS — CID 43786376

IUPACN-[(5-iodofuran-2-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine
SMILESIc1ccc(CNC(c2ccccc2)c2cccs2)o1
InChIInChI=1S/C16H14INOS/c17-15-9-8-13(19-15)11-18-16(14-7-4-10-20-14)12-5-2-1-3-6-12/h1-10,16,18H,11H2
InChIKeyXXQNABUPYAPLIK-UHFFFAOYSA-N
MW395.27 g/mol
LogP4.82
Rot. Bonds5

About N-[(5-iodofuran-2-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine

N-[(5-iodofuran-2-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine (PubChem CID 43786376) has the molecular formula C16H14INOS and a molecular weight of 395.27 g/mol. Its IUPAC name is N-[(5-iodofuran-2-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[(5-iodofuran-2-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine
PubChem CID43786376
Molecular FormulaC16H14INOS
Molecular Weight395.27 g/mol
Exact Mass394.98
IUPAC NameN-[(5-iodofuran-2-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine
SMILESIc1ccc(CNC(c2ccccc2)c2cccs2)o1
InChIInChI=1S/C16H14INOS/c17-15-9-8-13(19-15)11-18-16(14-7-4-10-20-14)12-5-2-1-3-6-12/h1-10,16,18H,11H2
InChIKeyXXQNABUPYAPLIK-UHFFFAOYSA-N
XLogP4.82
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.27
LogP ≤ 54.82
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-[(4-methylphenyl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 43224410
1-cyclopropyl-N-[(5-iodofuran-2-yl)methyl]-1-phenylmethanamine
CID 43786897
2-ethyl-N-[(5-iodofuran-2-yl)methyl]-1-phenylbutan-1-amine
CID 43788951
6,7-dimethyl-4-[[[(S)-phenyl(thiophen-2-yl)methyl]amino]methyl]chromen-2-one
CID 9051367
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 43224432
1-phenyl-N-(pyrimidin-4-ylmethyl)-1-thiophen-2-ylmethanamine
CID 62749247
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
N-[(5-iodofuran-2-yl)methyl]-1-phenylpropan-2-amine
CID 63010727
2-methoxy-N-[phenyl(thiophen-2-yl)methyl]ethanamine
CID 113220352
[phenyl(thiophen-2-yl)methyl]hydrazine
CID 53403118
(1S)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 8864461
(1R)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 8864475

Frequently Asked Questions

What is the IUPAC name of N-[(5-iodofuran-2-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[(5-iodofuran-2-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine (CID 43786376) is N-[(5-iodofuran-2-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[(5-iodofuran-2-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[(5-iodofuran-2-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine is Ic1ccc(CNC(c2ccccc2)c2cccs2)o1.
What is the InChIKey of N-[(5-iodofuran-2-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine?
The InChIKey is XXQNABUPYAPLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14INOS/c17-15-9-8-13(19-15)11-18-16(14-7-4-10-20-14)12-5-2-1-3-6-12/h1-10,16,18H,11H2.
What are the key properties of N-[(5-iodofuran-2-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine?
N-[(5-iodofuran-2-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine has a molecular weight of 395.27 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-iodofuran-2-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 43786376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).