N-[(5-iodofuran-2-yl)methyl]-1-(4-methylphenyl)ethanamine

C14H16INO — CID 54863117

IUPACN-[(5-iodofuran-2-yl)methyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(C)NCc2ccc(I)o2)cc1
InChIInChI=1S/C14H16INO/c1-10-3-5-12(6-4-10)11(2)16-9-13-7-8-14(15)17-13/h3-8,11,16H,9H2,1-2H3
InChIKeyXVAPLGZEMZYFQE-UHFFFAOYSA-N
MW341.19 g/mol
LogP4.04
Rot. Bonds4

About N-[(5-iodofuran-2-yl)methyl]-1-(4-methylphenyl)ethanamine

N-[(5-iodofuran-2-yl)methyl]-1-(4-methylphenyl)ethanamine (PubChem CID 54863117) 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-(4-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(5-iodofuran-2-yl)methyl]-1-(4-methylphenyl)ethanamine
PubChem CID54863117
Molecular FormulaC14H16INO
Molecular Weight341.19 g/mol
Exact Mass341.03
IUPAC NameN-[(5-iodofuran-2-yl)methyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(C)NCc2ccc(I)o2)cc1
InChIInChI=1S/C14H16INO/c1-10-3-5-12(6-4-10)11(2)16-9-13-7-8-14(15)17-13/h3-8,11,16H,9H2,1-2H3
InChIKeyXVAPLGZEMZYFQE-UHFFFAOYSA-N
XLogP4.04
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 54.04
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-iodofuran-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 43766842
1-(4-methylphenyl)-N-[(5-nitrofuran-2-yl)methyl]ethanamine
CID 54863069
1-(3-bromophenyl)-N-[(5-iodofuran-2-yl)methyl]ethanamine
CID 43779045
1-(4-iodophenyl)-N-[(4-methylphenyl)methyl]ethanamine
CID 43765203
N-[(5-iodofuran-2-yl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 65047799
1-(4-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62760386
1-(4-ethylsulfanylphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 119114919
N-[[5-(4-chlorocyclohepta-1,3,6-trien-1-yl)furan-2-yl]methyl]-1-(4-methylphenyl)ethanamine
CID 146342276
methyl (2S)-2-[(5-iodofuran-2-yl)methylamino]propanoate
CID 43786733
N-[(5-iodofuran-2-yl)methyl]-1-phenylpropan-2-amine
CID 63010727
N-[(5-methylfuran-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine
CID 62048598
(1R)-N-[(4-ethylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81350057

Frequently Asked Questions

What is the IUPAC name of N-[(5-iodofuran-2-yl)methyl]-1-(4-methylphenyl)ethanamine?
The IUPAC name of N-[(5-iodofuran-2-yl)methyl]-1-(4-methylphenyl)ethanamine (CID 54863117) is N-[(5-iodofuran-2-yl)methyl]-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for N-[(5-iodofuran-2-yl)methyl]-1-(4-methylphenyl)ethanamine?
The canonical SMILES for N-[(5-iodofuran-2-yl)methyl]-1-(4-methylphenyl)ethanamine is Cc1ccc(C(C)NCc2ccc(I)o2)cc1.
What is the InChIKey of N-[(5-iodofuran-2-yl)methyl]-1-(4-methylphenyl)ethanamine?
The InChIKey is XVAPLGZEMZYFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16INO/c1-10-3-5-12(6-4-10)11(2)16-9-13-7-8-14(15)17-13/h3-8,11,16H,9H2,1-2H3.
What are the key properties of N-[(5-iodofuran-2-yl)methyl]-1-(4-methylphenyl)ethanamine?
N-[(5-iodofuran-2-yl)methyl]-1-(4-methylphenyl)ethanamine has a molecular weight of 341.19 g/mol, XLogP of 4.04, 4 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-(4-methylphenyl)ethanamine is sourced from PubChem (CID 54863117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).