2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]aniline

C13H14INO — CID 43124775

IUPAC2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]aniline
SMILESCc1ccc(C(C)Nc2ccccc2I)o1
InChIInChI=1S/C13H14INO/c1-9-7-8-13(16-9)10(2)15-12-6-4-3-5-11(12)14/h3-8,10,15H,1-2H3
InChIKeyFZBYFWAIPIIOCN-UHFFFAOYSA-N
MW327.17 g/mol
LogP4.37
Rot. Bonds3

About 2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]aniline

2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]aniline (PubChem CID 43124775) has the molecular formula C13H14INO and a molecular weight of 327.17 g/mol. Its IUPAC name is 2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]aniline
PubChem CID43124775
Molecular FormulaC13H14INO
Molecular Weight327.17 g/mol
Exact Mass327.01
IUPAC Name2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]aniline
SMILESCc1ccc(C(C)Nc2ccccc2I)o1
InChIInChI=1S/C13H14INO/c1-9-7-8-13(16-9)10(2)15-12-6-4-3-5-11(12)14/h3-8,10,15H,1-2H3
InChIKeyFZBYFWAIPIIOCN-UHFFFAOYSA-N
XLogP4.37
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
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

2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 43194719
5-bromo-2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 114259409
N-[2-[1-(5-methylfuran-2-yl)ethylamino]phenyl]methanesulfonamide
CID 43744105
2,3-difluoro-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 61077155
2,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 43196557
2-iodo-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
CID 43124682
2-methoxy-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-3-amine
CID 43721921
2-N,2-N-dimethyl-3-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3-diamine
CID 43707902
tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate
CID 107240310
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-nitroaniline
CID 102605008
N-[1-(5-methylfuran-2-yl)ethyl]-2-propan-2-yloxypyridin-3-amine
CID 61375389
N,2-dimethyl-3-[1-(5-methylfuran-2-yl)ethylamino]benzamide
CID 43734599

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]aniline?
The IUPAC name of 2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]aniline (CID 43124775) is 2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]aniline.
What is the SMILES notation for 2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]aniline?
The canonical SMILES for 2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]aniline is Cc1ccc(C(C)Nc2ccccc2I)o1.
What is the InChIKey of 2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]aniline?
The InChIKey is FZBYFWAIPIIOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14INO/c1-9-7-8-13(16-9)10(2)15-12-6-4-3-5-11(12)14/h3-8,10,15H,1-2H3.
What are the key properties of 2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]aniline?
2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]aniline has a molecular weight of 327.17 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]aniline is sourced from PubChem (CID 43124775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).