2-[2-(2-amino-5-fluoro-4-iodoanilino)ethoxy]ethanol

C10H14FIN2O2 — CID 66100509

IUPAC2-[2-(2-amino-5-fluoro-4-iodoanilino)ethoxy]ethanol
SMILESNc1cc(I)c(F)cc1NCCOCCO
InChIInChI=1S/C10H14FIN2O2/c11-7-5-10(9(13)6-8(7)12)14-1-3-16-4-2-15/h5-6,14-15H,1-4,13H2
InChIKeyLJMAOTOBWRSMQM-UHFFFAOYSA-N
MW340.14 g/mol
LogP1.43
Rot. Bonds6

About 2-[2-(2-amino-5-fluoro-4-iodoanilino)ethoxy]ethanol

2-[2-(2-amino-5-fluoro-4-iodoanilino)ethoxy]ethanol (PubChem CID 66100509) has the molecular formula C10H14FIN2O2 and a molecular weight of 340.14 g/mol. Its IUPAC name is 2-[2-(2-amino-5-fluoro-4-iodoanilino)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2-amino-5-fluoro-4-iodoanilino)ethoxy]ethanol
PubChem CID66100509
Molecular FormulaC10H14FIN2O2
Molecular Weight340.14 g/mol
Exact Mass340.01
IUPAC Name2-[2-(2-amino-5-fluoro-4-iodoanilino)ethoxy]ethanol
SMILESNc1cc(I)c(F)cc1NCCOCCO
InChIInChI=1S/C10H14FIN2O2/c11-7-5-10(9(13)6-8(7)12)14-1-3-16-4-2-15/h5-6,14-15H,1-4,13H2
InChIKeyLJMAOTOBWRSMQM-UHFFFAOYSA-N
XLogP1.43
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.14
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-(2-ethoxyethyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66101653
2-N-(2-butoxyethyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66099520
2-[2-(2,4,5-trifluoroanilino)ethoxy]ethanol
CID 62815209
2-[2-(2-amino-5-chloroanilino)ethoxy]ethanol
CID 115468899
2-(2-amino-5-fluoro-4-iodoanilino)ethylurea
CID 83115916
4-fluoro-5-iodo-2-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,2-diamine
CID 106036670
2-[2-(2,3,5-trifluoroanilino)ethoxy]ethanol
CID 62810263
4-fluoro-5-iodo-2-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,2-diamine
CID 106426519
2-(2-amino-5-fluoro-4-iodoanilino)propane-1,3-diol
CID 66102489
4-chloro-1-N-(2-ethoxyethyl)-5-fluorobenzene-1,2-diamine
CID 66077409
3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzamide
CID 82989279
2-N-(2,3-dimethylbutyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66101509

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-amino-5-fluoro-4-iodoanilino)ethoxy]ethanol?
The IUPAC name of 2-[2-(2-amino-5-fluoro-4-iodoanilino)ethoxy]ethanol (CID 66100509) is 2-[2-(2-amino-5-fluoro-4-iodoanilino)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2-amino-5-fluoro-4-iodoanilino)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2-amino-5-fluoro-4-iodoanilino)ethoxy]ethanol is Nc1cc(I)c(F)cc1NCCOCCO.
What is the InChIKey of 2-[2-(2-amino-5-fluoro-4-iodoanilino)ethoxy]ethanol?
The InChIKey is LJMAOTOBWRSMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FIN2O2/c11-7-5-10(9(13)6-8(7)12)14-1-3-16-4-2-15/h5-6,14-15H,1-4,13H2.
What are the key properties of 2-[2-(2-amino-5-fluoro-4-iodoanilino)ethoxy]ethanol?
2-[2-(2-amino-5-fluoro-4-iodoanilino)ethoxy]ethanol has a molecular weight of 340.14 g/mol, XLogP of 1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-amino-5-fluoro-4-iodoanilino)ethoxy]ethanol is sourced from PubChem (CID 66100509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).