N-[(5-iodofuran-2-yl)methyl]-1-phenylpropan-2-amine

C14H16INO — CID 63010727

IUPACN-[(5-iodofuran-2-yl)methyl]-1-phenylpropan-2-amine
SMILESCC(Cc1ccccc1)NCc1ccc(I)o1
InChIInChI=1S/C14H16INO/c1-11(9-12-5-3-2-4-6-12)16-10-13-7-8-14(15)17-13/h2-8,11,16H,9-10H2,1H3
InChIKeyYTXIUQKNMWTUNL-UHFFFAOYSA-N
MW341.19 g/mol
LogP3.61
Rot. Bonds5

About N-[(5-iodofuran-2-yl)methyl]-1-phenylpropan-2-amine

N-[(5-iodofuran-2-yl)methyl]-1-phenylpropan-2-amine (PubChem CID 63010727) has the molecular formula C14H16INO and a molecular weight of 341.19 g/mol. Its IUPAC name is N-[(5-iodofuran-2-yl)methyl]-1-phenylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-iodofuran-2-yl)methyl]-1-phenylpropan-2-amine
PubChem CID63010727
Molecular FormulaC14H16INO
Molecular Weight341.19 g/mol
Exact Mass341.03
IUPAC NameN-[(5-iodofuran-2-yl)methyl]-1-phenylpropan-2-amine
SMILESCC(Cc1ccccc1)NCc1ccc(I)o1
InChIInChI=1S/C14H16INO/c1-11(9-12-5-3-2-4-6-12)16-10-13-7-8-14(15)17-13/h2-8,11,16H,9-10H2,1H3
InChIKeyYTXIUQKNMWTUNL-UHFFFAOYSA-N
XLogP3.61
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 53.61
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

(2S)-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-2-amine
CID 781905
N-[(5-nitrofuran-2-yl)methyl]-1-phenylpropan-2-amine
CID 63012785
(1-phenylpropan-2-ylamino)methanol
CID 54463712
N-[(5-methylthiophen-2-yl)methyl]-1-phenylpropan-2-amine
CID 63012085
4-[2-[(5-methylfuran-2-yl)methylamino]propyl]phenol
CID 78943399
(2S)-N-[(5-methylfuran-2-yl)methyl]-4-phenylbutan-2-amine
CID 40725603
5-[(1-phenylpropan-2-ylamino)methyl]furan-3-carboxylic acid
CID 104608921
N-[(5-iodofuran-2-yl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 65047799
N-[(5-iodofuran-2-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 54863117
1-cyclopropyl-N-[(5-iodofuran-2-yl)methyl]-1-phenylmethanamine
CID 43786897
N-(1-phenylpropan-2-yl)thiohydroxylamine
CID 23498394
N-[(5-iodofuran-2-yl)methyl]-4-phenylaniline
CID 43785167

Frequently Asked Questions

What is the IUPAC name of N-[(5-iodofuran-2-yl)methyl]-1-phenylpropan-2-amine?
The IUPAC name of N-[(5-iodofuran-2-yl)methyl]-1-phenylpropan-2-amine (CID 63010727) is N-[(5-iodofuran-2-yl)methyl]-1-phenylpropan-2-amine.
What is the SMILES notation for N-[(5-iodofuran-2-yl)methyl]-1-phenylpropan-2-amine?
The canonical SMILES for N-[(5-iodofuran-2-yl)methyl]-1-phenylpropan-2-amine is CC(Cc1ccccc1)NCc1ccc(I)o1.
What is the InChIKey of N-[(5-iodofuran-2-yl)methyl]-1-phenylpropan-2-amine?
The InChIKey is YTXIUQKNMWTUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16INO/c1-11(9-12-5-3-2-4-6-12)16-10-13-7-8-14(15)17-13/h2-8,11,16H,9-10H2,1H3.
What are the key properties of N-[(5-iodofuran-2-yl)methyl]-1-phenylpropan-2-amine?
N-[(5-iodofuran-2-yl)methyl]-1-phenylpropan-2-amine has a molecular weight of 341.19 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-iodofuran-2-yl)methyl]-1-phenylpropan-2-amine is sourced from PubChem (CID 63010727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).