2-iodo-N-[(5-methylfuran-2-yl)methyl]aniline

C12H12INO — CID 28978222

IUPAC2-iodo-N-[(5-methylfuran-2-yl)methyl]aniline
SMILESCc1ccc(CNc2ccccc2I)o1
InChIInChI=1S/C12H12INO/c1-9-6-7-10(15-9)8-14-12-5-3-2-4-11(12)13/h2-7,14H,8H2,1H3
InChIKeyZIHVNZFJDJNATJ-UHFFFAOYSA-N
MW313.14 g/mol
LogP3.80
Rot. Bonds3

About 2-iodo-N-[(5-methylfuran-2-yl)methyl]aniline

2-iodo-N-[(5-methylfuran-2-yl)methyl]aniline (PubChem CID 28978222) has the molecular formula C12H12INO and a molecular weight of 313.14 g/mol. Its IUPAC name is 2-iodo-N-[(5-methylfuran-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-iodo-N-[(5-methylfuran-2-yl)methyl]aniline
PubChem CID28978222
Molecular FormulaC12H12INO
Molecular Weight313.14 g/mol
Exact Mass313.00
IUPAC Name2-iodo-N-[(5-methylfuran-2-yl)methyl]aniline
SMILESCc1ccc(CNc2ccccc2I)o1
InChIInChI=1S/C12H12INO/c1-9-6-7-10(15-9)8-14-12-5-3-2-4-11(12)13/h2-7,14H,8H2,1H3
InChIKeyZIHVNZFJDJNATJ-UHFFFAOYSA-N
XLogP3.80
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 53.80
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-[(5-methylfuran-2-yl)methylamino]phenyl]methanesulfonamide
CID 43744046
N-[(5-methylfuran-2-yl)methyl]-2-nitroaniline
CID 14182881
2-(difluoromethoxy)-N-[(5-methylfuran-2-yl)methyl]aniline
CID 28623990
tert-butyl N-[2-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate
CID 107240074
2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-nitroaniline
CID 43719615
2-amino-3-[(5-methylfuran-2-yl)methylamino]benzamide
CID 113332915
1-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]-2-nitrobenzene-1,3-diamine
CID 80832675
3-bromo-2-(methoxymethyl)-N-[(5-methylfuran-2-yl)methyl]aniline
CID 61167541
2-chloro-N-[(5-methylfuran-2-yl)methyl]thiophen-3-amine
CID 130671044
4-chloro-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine
CID 115468900
5-chloro-2-fluoro-N-[(5-methylfuran-2-yl)methyl]aniline
CID 43438391
N-[(5-methylfuran-2-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676423

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[(5-methylfuran-2-yl)methyl]aniline?
The IUPAC name of 2-iodo-N-[(5-methylfuran-2-yl)methyl]aniline (CID 28978222) is 2-iodo-N-[(5-methylfuran-2-yl)methyl]aniline.
What is the SMILES notation for 2-iodo-N-[(5-methylfuran-2-yl)methyl]aniline?
The canonical SMILES for 2-iodo-N-[(5-methylfuran-2-yl)methyl]aniline is Cc1ccc(CNc2ccccc2I)o1.
What is the InChIKey of 2-iodo-N-[(5-methylfuran-2-yl)methyl]aniline?
The InChIKey is ZIHVNZFJDJNATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12INO/c1-9-6-7-10(15-9)8-14-12-5-3-2-4-11(12)13/h2-7,14H,8H2,1H3.
What are the key properties of 2-iodo-N-[(5-methylfuran-2-yl)methyl]aniline?
2-iodo-N-[(5-methylfuran-2-yl)methyl]aniline has a molecular weight of 313.14 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[(5-methylfuran-2-yl)methyl]aniline is sourced from PubChem (CID 28978222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).