N-[(5-iodofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine

C11H16INO2 — CID 43771994

IUPACN-[(5-iodofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine
SMILESCC(NCc1ccc(I)o1)C1CCCO1
InChIInChI=1S/C11H16INO2/c1-8(10-3-2-6-14-10)13-7-9-4-5-11(12)15-9/h4-5,8,10,13H,2-3,6-7H2,1H3
InChIKeyCBTUJGVXVHBJTP-UHFFFAOYSA-N
MW321.16 g/mol
LogP2.54
Rot. Bonds4

About N-[(5-iodofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine

N-[(5-iodofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine (PubChem CID 43771994) has the molecular formula C11H16INO2 and a molecular weight of 321.16 g/mol. Its IUPAC name is N-[(5-iodofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-iodofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine
PubChem CID43771994
Molecular FormulaC11H16INO2
Molecular Weight321.16 g/mol
Exact Mass321.02
IUPAC NameN-[(5-iodofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine
SMILESCC(NCc1ccc(I)o1)C1CCCO1
InChIInChI=1S/C11H16INO2/c1-8(10-3-2-6-14-10)13-7-9-4-5-11(12)15-9/h4-5,8,10,13H,2-3,6-7H2,1H3
InChIKeyCBTUJGVXVHBJTP-UHFFFAOYSA-N
XLogP2.54
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(5-iodofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-bromofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208465
N-[(4-tert-butylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43111659
N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208412
N-[(3,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208415
N-[(3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208430
N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 106816198
N-[(4-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208422
(1R)-1-[(2R)-oxolan-2-yl]-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 95177763
N-[(4-fluoro-3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 55039910
(1S)-N-[(4-bromothiophen-2-yl)methyl]-1-[(2S)-oxolan-2-yl]ethanamine
CID 28973023
6-methyl-2-[[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]amino]methyl]pyridin-3-ol
CID 124528159
(1S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]ethanamine
CID 93257811

Frequently Asked Questions

What is the IUPAC name of N-[(5-iodofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[(5-iodofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine (CID 43771994) is N-[(5-iodofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[(5-iodofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[(5-iodofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine is CC(NCc1ccc(I)o1)C1CCCO1.
What is the InChIKey of N-[(5-iodofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine?
The InChIKey is CBTUJGVXVHBJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16INO2/c1-8(10-3-2-6-14-10)13-7-9-4-5-11(12)15-9/h4-5,8,10,13H,2-3,6-7H2,1H3.
What are the key properties of N-[(5-iodofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine?
N-[(5-iodofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine has a molecular weight of 321.16 g/mol, XLogP of 2.54, 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-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 43771994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).