2-ethyl-N-[(5-iodofuran-2-yl)methyl]-6-methylaniline

C14H16INO — CID 54862209

IUPAC2-ethyl-N-[(5-iodofuran-2-yl)methyl]-6-methylaniline
SMILESCCc1cccc(C)c1NCc1ccc(I)o1
InChIInChI=1S/C14H16INO/c1-3-11-6-4-5-10(2)14(11)16-9-12-7-8-13(15)17-12/h4-8,16H,3,9H2,1-2H3
InChIKeyXLURYHQBCCCRFH-UHFFFAOYSA-N
MW341.19 g/mol
LogP4.37
Rot. Bonds4

About 2-ethyl-N-[(5-iodofuran-2-yl)methyl]-6-methylaniline

2-ethyl-N-[(5-iodofuran-2-yl)methyl]-6-methylaniline (PubChem CID 54862209) has the molecular formula C14H16INO and a molecular weight of 341.19 g/mol. Its IUPAC name is 2-ethyl-N-[(5-iodofuran-2-yl)methyl]-6-methylaniline.

Molecular Properties

Compound Name2-ethyl-N-[(5-iodofuran-2-yl)methyl]-6-methylaniline
PubChem CID54862209
Molecular FormulaC14H16INO
Molecular Weight341.19 g/mol
Exact Mass341.03
IUPAC Name2-ethyl-N-[(5-iodofuran-2-yl)methyl]-6-methylaniline
SMILESCCc1cccc(C)c1NCc1ccc(I)o1
InChIInChI=1S/C14H16INO/c1-3-11-6-4-5-10(2)14(11)16-9-12-7-8-13(15)17-12/h4-8,16H,3,9H2,1-2H3
InChIKeyXLURYHQBCCCRFH-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
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-[(2,6-dichlorophenyl)methyl]-2-ethyl-6-methylaniline
CID 63448215
2-ethyl-N-(furan-3-ylmethyl)-6-methylaniline
CID 63204552
N-[(5-iodofuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79763223
N-[(5-bromo-1,3,4-oxadiazol-2-yl)methyl]-2-ethyl-6-methylaniline
CID 23462354
N-[(4-chlorophenyl)methyl]-2-ethyl-6-methylaniline
CID 54798399
N-[2-[(2-ethyl-6-methylanilino)methyl]phenyl]acetamide
CID 66417086
5-[(2,6-dimethylanilino)methyl]furan-2-carboxylic acid
CID 82096130
2-ethyl-N-[(5-methoxy-1,3,4-oxadiazol-2-yl)methyl]-6-methylaniline
CID 23462284
2-ethyl-6-methyl-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66409186
N'-(2-ethyl-6-methylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54809826
N-(2,4-dimethylpentyl)-2-ethyl-6-methylaniline
CID 114200632
2-ethyl-6-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62475131

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(5-iodofuran-2-yl)methyl]-6-methylaniline?
The IUPAC name of 2-ethyl-N-[(5-iodofuran-2-yl)methyl]-6-methylaniline (CID 54862209) is 2-ethyl-N-[(5-iodofuran-2-yl)methyl]-6-methylaniline.
What is the SMILES notation for 2-ethyl-N-[(5-iodofuran-2-yl)methyl]-6-methylaniline?
The canonical SMILES for 2-ethyl-N-[(5-iodofuran-2-yl)methyl]-6-methylaniline is CCc1cccc(C)c1NCc1ccc(I)o1.
What is the InChIKey of 2-ethyl-N-[(5-iodofuran-2-yl)methyl]-6-methylaniline?
The InChIKey is XLURYHQBCCCRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16INO/c1-3-11-6-4-5-10(2)14(11)16-9-12-7-8-13(15)17-12/h4-8,16H,3,9H2,1-2H3.
What are the key properties of 2-ethyl-N-[(5-iodofuran-2-yl)methyl]-6-methylaniline?
2-ethyl-N-[(5-iodofuran-2-yl)methyl]-6-methylaniline has a molecular weight of 341.19 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(5-iodofuran-2-yl)methyl]-6-methylaniline is sourced from PubChem (CID 54862209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).