2-chloro-N-[(5-iodofuran-2-yl)methyl]-4-methylaniline

C12H11ClINO — CID 43772647

IUPAC2-chloro-N-[(5-iodofuran-2-yl)methyl]-4-methylaniline
SMILESCc1ccc(NCc2ccc(I)o2)c(Cl)c1
InChIInChI=1S/C12H11ClINO/c1-8-2-4-11(10(13)6-8)15-7-9-3-5-12(14)16-9/h2-6,15H,7H2,1H3
InChIKeyFDMKPJADDTXXNZ-UHFFFAOYSA-N
MW347.58 g/mol
LogP4.46
Rot. Bonds3

About 2-chloro-N-[(5-iodofuran-2-yl)methyl]-4-methylaniline

2-chloro-N-[(5-iodofuran-2-yl)methyl]-4-methylaniline (PubChem CID 43772647) has the molecular formula C12H11ClINO and a molecular weight of 347.58 g/mol. Its IUPAC name is 2-chloro-N-[(5-iodofuran-2-yl)methyl]-4-methylaniline.

Molecular Properties

Compound Name2-chloro-N-[(5-iodofuran-2-yl)methyl]-4-methylaniline
PubChem CID43772647
Molecular FormulaC12H11ClINO
Molecular Weight347.58 g/mol
Exact Mass346.96
IUPAC Name2-chloro-N-[(5-iodofuran-2-yl)methyl]-4-methylaniline
SMILESCc1ccc(NCc2ccc(I)o2)c(Cl)c1
InChIInChI=1S/C12H11ClINO/c1-8-2-4-11(10(13)6-8)15-7-9-3-5-12(14)16-9/h2-6,15H,7H2,1H3
InChIKeyFDMKPJADDTXXNZ-UHFFFAOYSA-N
XLogP4.46
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.58
LogP ≤ 54.46
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

2,3-dichloro-N-[(5-iodofuran-2-yl)methyl]aniline
CID 43772168
2-chloro-4-methyl-N-[(2,3,6-trichlorophenyl)methyl]aniline
CID 43772671
N-[(5-bromofuran-2-yl)methyl]-2-chloro-4-iodoaniline
CID 43733657
methyl 5-[(2-chloro-4-methylanilino)methyl]-2-methylfuran-3-carboxylate
CID 37477190
8-chloro-N-[(5-iodofuran-2-yl)methyl]quinolin-5-amine
CID 43788302
3-bromo-5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-methoxyaniline
CID 43782315
4-fluoro-N-[(5-iodofuran-2-yl)methyl]-2-methoxyaniline
CID 54968306
methyl 4-chloro-2-[(5-iodofuran-2-yl)methylamino]benzoate
CID 43780351
5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-propoxyaniline
CID 63453193
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2,4-dimethylaniline
CID 91674289
2-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-4-methylaniline
CID 114841500
2,6-dibromo-4-chloro-N-[(5-iodofuran-2-yl)methyl]aniline
CID 114208979

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-iodofuran-2-yl)methyl]-4-methylaniline?
The IUPAC name of 2-chloro-N-[(5-iodofuran-2-yl)methyl]-4-methylaniline (CID 43772647) is 2-chloro-N-[(5-iodofuran-2-yl)methyl]-4-methylaniline.
What is the SMILES notation for 2-chloro-N-[(5-iodofuran-2-yl)methyl]-4-methylaniline?
The canonical SMILES for 2-chloro-N-[(5-iodofuran-2-yl)methyl]-4-methylaniline is Cc1ccc(NCc2ccc(I)o2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[(5-iodofuran-2-yl)methyl]-4-methylaniline?
The InChIKey is FDMKPJADDTXXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClINO/c1-8-2-4-11(10(13)6-8)15-7-9-3-5-12(14)16-9/h2-6,15H,7H2,1H3.
What are the key properties of 2-chloro-N-[(5-iodofuran-2-yl)methyl]-4-methylaniline?
2-chloro-N-[(5-iodofuran-2-yl)methyl]-4-methylaniline has a molecular weight of 347.58 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-iodofuran-2-yl)methyl]-4-methylaniline is sourced from PubChem (CID 43772647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).