2-N-(2-ethoxyethyl)-4-fluoro-5-iodobenzene-1,2-diamine

C10H14FIN2O — CID 66101653

IUPAC2-N-(2-ethoxyethyl)-4-fluoro-5-iodobenzene-1,2-diamine
SMILESCCOCCNc1cc(F)c(I)cc1N
InChIInChI=1S/C10H14FIN2O/c1-2-15-4-3-14-10-5-7(11)8(12)6-9(10)13/h5-6,14H,2-4,13H2,1H3
InChIKeyMYRXMMDELNMSQE-UHFFFAOYSA-N
MW324.14 g/mol
LogP2.46
Rot. Bonds5

About 2-N-(2-ethoxyethyl)-4-fluoro-5-iodobenzene-1,2-diamine

2-N-(2-ethoxyethyl)-4-fluoro-5-iodobenzene-1,2-diamine (PubChem CID 66101653) has the molecular formula C10H14FIN2O and a molecular weight of 324.14 g/mol. Its IUPAC name is 2-N-(2-ethoxyethyl)-4-fluoro-5-iodobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-ethoxyethyl)-4-fluoro-5-iodobenzene-1,2-diamine
PubChem CID66101653
Molecular FormulaC10H14FIN2O
Molecular Weight324.14 g/mol
Exact Mass324.01
IUPAC Name2-N-(2-ethoxyethyl)-4-fluoro-5-iodobenzene-1,2-diamine
SMILESCCOCCNc1cc(F)c(I)cc1N
InChIInChI=1S/C10H14FIN2O/c1-2-15-4-3-14-10-5-7(11)8(12)6-9(10)13/h5-6,14H,2-4,13H2,1H3
InChIKeyMYRXMMDELNMSQE-UHFFFAOYSA-N
XLogP2.46
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.14
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-butoxyethyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66099520
2-[2-(2-amino-5-fluoro-4-iodoanilino)ethoxy]ethanol
CID 66100509
4-chloro-1-N-(2-ethoxyethyl)-5-fluorobenzene-1,2-diamine
CID 66077409
4-bromo-1-N-(3-ethoxypropyl)-5-fluorobenzene-1,2-diamine
CID 66110295
2-(2-ethoxyethoxy)-4-fluoro-5-iodoaniline
CID 66100153
4-fluoro-5-iodo-2-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,2-diamine
CID 106036670
4-fluoro-5-iodo-2-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,2-diamine
CID 106426519
2-(2-amino-5-fluoro-4-iodoanilino)ethylurea
CID 83115916
1-N-(2-ethoxyethyl)-2,6-difluorobenzene-1,4-diamine
CID 61016952
4-bromo-2-N-(2-ethoxyethyl)benzene-1,2-diamine
CID 65343271
2-N-(2,3-dimethylbutyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66101509
3-(2-amino-5-fluoro-4-iodoanilino)-N-butan-2-ylpropanamide
CID 66102068

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethoxyethyl)-4-fluoro-5-iodobenzene-1,2-diamine?
The IUPAC name of 2-N-(2-ethoxyethyl)-4-fluoro-5-iodobenzene-1,2-diamine (CID 66101653) is 2-N-(2-ethoxyethyl)-4-fluoro-5-iodobenzene-1,2-diamine.
What is the SMILES notation for 2-N-(2-ethoxyethyl)-4-fluoro-5-iodobenzene-1,2-diamine?
The canonical SMILES for 2-N-(2-ethoxyethyl)-4-fluoro-5-iodobenzene-1,2-diamine is CCOCCNc1cc(F)c(I)cc1N.
What is the InChIKey of 2-N-(2-ethoxyethyl)-4-fluoro-5-iodobenzene-1,2-diamine?
The InChIKey is MYRXMMDELNMSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FIN2O/c1-2-15-4-3-14-10-5-7(11)8(12)6-9(10)13/h5-6,14H,2-4,13H2,1H3.
What are the key properties of 2-N-(2-ethoxyethyl)-4-fluoro-5-iodobenzene-1,2-diamine?
2-N-(2-ethoxyethyl)-4-fluoro-5-iodobenzene-1,2-diamine has a molecular weight of 324.14 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethoxyethyl)-4-fluoro-5-iodobenzene-1,2-diamine is sourced from PubChem (CID 66101653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).