N-[(5-iodofuran-2-yl)methyl]-1-pyridin-4-ylethanamine

C12H13IN2O — CID 43766842

IUPACN-[(5-iodofuran-2-yl)methyl]-1-pyridin-4-ylethanamine
SMILESCC(NCc1ccc(I)o1)c1ccncc1
InChIInChI=1S/C12H13IN2O/c1-9(10-4-6-14-7-5-10)15-8-11-2-3-12(13)16-11/h2-7,9,15H,8H2,1H3
InChIKeyXAVGLDUCEKABEJ-UHFFFAOYSA-N
MW328.15 g/mol
LogP3.13
Rot. Bonds4

About N-[(5-iodofuran-2-yl)methyl]-1-pyridin-4-ylethanamine

N-[(5-iodofuran-2-yl)methyl]-1-pyridin-4-ylethanamine (PubChem CID 43766842) has the molecular formula C12H13IN2O and a molecular weight of 328.15 g/mol. Its IUPAC name is N-[(5-iodofuran-2-yl)methyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[(5-iodofuran-2-yl)methyl]-1-pyridin-4-ylethanamine
PubChem CID43766842
Molecular FormulaC12H13IN2O
Molecular Weight328.15 g/mol
Exact Mass328.01
IUPAC NameN-[(5-iodofuran-2-yl)methyl]-1-pyridin-4-ylethanamine
SMILESCC(NCc1ccc(I)o1)c1ccncc1
InChIInChI=1S/C12H13IN2O/c1-9(10-4-6-14-7-5-10)15-8-11-2-3-12(13)16-11/h2-7,9,15H,8H2,1H3
InChIKeyXAVGLDUCEKABEJ-UHFFFAOYSA-N
XLogP3.13
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.15
LogP ≤ 53.13
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-iodofuran-2-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 54863117
N-[(5-bromofuran-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 43180998
methyl 5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]furan-2-carboxylate
CID 81405878
1-(3-bromophenyl)-N-[(5-iodofuran-2-yl)methyl]ethanamine
CID 43779045
1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62758658
(1R)-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 28644855
1-pyridin-4-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62759133
N-[(5-iodofuran-2-yl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 65047799
5-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]furan-3-carboxylic acid
CID 113432548
1-pyridin-4-yl-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62760038
methyl (2S)-2-[(5-iodofuran-2-yl)methylamino]propanoate
CID 43786733
(1S)-N-[(5-chlorofuran-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 78951148

Frequently Asked Questions

What is the IUPAC name of N-[(5-iodofuran-2-yl)methyl]-1-pyridin-4-ylethanamine?
The IUPAC name of N-[(5-iodofuran-2-yl)methyl]-1-pyridin-4-ylethanamine (CID 43766842) is N-[(5-iodofuran-2-yl)methyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for N-[(5-iodofuran-2-yl)methyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for N-[(5-iodofuran-2-yl)methyl]-1-pyridin-4-ylethanamine is CC(NCc1ccc(I)o1)c1ccncc1.
What is the InChIKey of N-[(5-iodofuran-2-yl)methyl]-1-pyridin-4-ylethanamine?
The InChIKey is XAVGLDUCEKABEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN2O/c1-9(10-4-6-14-7-5-10)15-8-11-2-3-12(13)16-11/h2-7,9,15H,8H2,1H3.
What are the key properties of N-[(5-iodofuran-2-yl)methyl]-1-pyridin-4-ylethanamine?
N-[(5-iodofuran-2-yl)methyl]-1-pyridin-4-ylethanamine has a molecular weight of 328.15 g/mol, XLogP of 3.13, 4 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-pyridin-4-ylethanamine is sourced from PubChem (CID 43766842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).