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

C14H16INO — CID 79763223

IUPACN-[(5-iodofuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine
SMILESCc1ccccc1CCNCc1ccc(I)o1
InChIInChI=1S/C14H16INO/c1-11-4-2-3-5-12(11)8-9-16-10-13-6-7-14(15)17-13/h2-7,16H,8-10H2,1H3
InChIKeyVPEQBSCZDCIKNG-UHFFFAOYSA-N
MW341.19 g/mol
LogP3.52
Rot. Bonds5

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

N-[(5-iodofuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine (PubChem CID 79763223) has the molecular formula C14H16INO and a molecular weight of 341.19 g/mol. Its IUPAC name is N-[(5-iodofuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(5-iodofuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine
PubChem CID79763223
Molecular FormulaC14H16INO
Molecular Weight341.19 g/mol
Exact Mass341.03
IUPAC NameN-[(5-iodofuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine
SMILESCc1ccccc1CCNCc1ccc(I)o1
InChIInChI=1S/C14H16INO/c1-11-4-2-3-5-12(11)8-9-16-10-13-6-7-14(15)17-13/h2-7,16H,8-10H2,1H3
InChIKeyVPEQBSCZDCIKNG-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-ethylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79762599
N-[(5-iodofuran-2-yl)methyl]-2-quinolin-8-ylethanamine
CID 81426993
N-[(2-bromophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 78910561
N-[(3-methylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 115651503
2-ethyl-N-[(5-iodofuran-2-yl)methyl]-6-methylaniline
CID 54862209
N-ethyl-N-[[2-[[(5-iodofuran-2-yl)methylamino]methyl]phenyl]methyl]ethanamine
CID 43768406
3-[[2-(2-methylphenyl)ethylamino]methyl]benzene-1,2-diol
CID 79762957
N-[(5-chlorofuran-2-yl)methyl]-1-(2-methylphenyl)methanamine
CID 60659041
N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 78911502
N-methyl-4-[[2-(2-methylphenyl)ethylamino]methyl]aniline
CID 115212839
N-[(4-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 78911495
2-(cyclopenten-1-yl)-N-[(5-iodofuran-2-yl)methyl]ethanamine
CID 106169331

Frequently Asked Questions

What is the IUPAC name of N-[(5-iodofuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine?
The IUPAC name of N-[(5-iodofuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine (CID 79763223) is N-[(5-iodofuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for N-[(5-iodofuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine?
The canonical SMILES for N-[(5-iodofuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine is Cc1ccccc1CCNCc1ccc(I)o1.
What is the InChIKey of N-[(5-iodofuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine?
The InChIKey is VPEQBSCZDCIKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16INO/c1-11-4-2-3-5-12(11)8-9-16-10-13-6-7-14(15)17-13/h2-7,16H,8-10H2,1H3.
What are the key properties of N-[(5-iodofuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine?
N-[(5-iodofuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine has a molecular weight of 341.19 g/mol, XLogP of 3.52, 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]-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 79763223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).