1-N-(2-ethoxyphenyl)-4-iodobenzene-1,2-diamine

C14H15IN2O — CID 66065259

IUPAC1-N-(2-ethoxyphenyl)-4-iodobenzene-1,2-diamine
SMILESCCOc1ccccc1Nc1ccc(I)cc1N
InChIInChI=1S/C14H15IN2O/c1-2-18-14-6-4-3-5-13(14)17-12-8-7-10(15)9-11(12)16/h3-9,17H,2,16H2,1H3
InChIKeyAOGJBGQIQUCYSU-UHFFFAOYSA-N
MW354.19 g/mol
LogP4.02
Rot. Bonds4

About 1-N-(2-ethoxyphenyl)-4-iodobenzene-1,2-diamine

1-N-(2-ethoxyphenyl)-4-iodobenzene-1,2-diamine (PubChem CID 66065259) has the molecular formula C14H15IN2O and a molecular weight of 354.19 g/mol. Its IUPAC name is 1-N-(2-ethoxyphenyl)-4-iodobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-ethoxyphenyl)-4-iodobenzene-1,2-diamine
PubChem CID66065259
Molecular FormulaC14H15IN2O
Molecular Weight354.19 g/mol
Exact Mass354.02
IUPAC Name1-N-(2-ethoxyphenyl)-4-iodobenzene-1,2-diamine
SMILESCCOc1ccccc1Nc1ccc(I)cc1N
InChIInChI=1S/C14H15IN2O/c1-2-18-14-6-4-3-5-13(14)17-12-8-7-10(15)9-11(12)16/h3-9,17H,2,16H2,1H3
InChIKeyAOGJBGQIQUCYSU-UHFFFAOYSA-N
XLogP4.02
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-(3-ethoxyphenyl)-4-iodobenzene-1,2-diamine
CID 66066299
4-bromo-2-N-(2-ethoxyphenyl)benzene-1,2-diamine
CID 65343297
3-amino-4-(2-ethoxyanilino)-N-propylbenzamide
CID 100629601
4-amino-3-(2-ethoxyanilino)benzenesulfonamide
CID 82900046
2-amino-5-(2-ethoxyanilino)benzamide
CID 61305584
2-[(2-ethoxyanilino)methyl]aniline
CID 66385823
5-bromo-2-N-(2-ethoxyphenyl)pyridine-2,3-diamine
CID 61229826
2-[4-(2-ethoxyanilino)anilino]phenol
CID 139619306
propyl 5-amino-2-(2-ethoxyanilino)benzoate
CID 100648721
4-N-(2-ethoxyphenyl)quinoline-4,7-diamine
CID 103000246
2-N-(2-ethoxyphenyl)-6-methoxypyridine-2,5-diamine
CID 43261354
4-N-(2-ethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80926816

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-ethoxyphenyl)-4-iodobenzene-1,2-diamine?
The IUPAC name of 1-N-(2-ethoxyphenyl)-4-iodobenzene-1,2-diamine (CID 66065259) is 1-N-(2-ethoxyphenyl)-4-iodobenzene-1,2-diamine.
What is the SMILES notation for 1-N-(2-ethoxyphenyl)-4-iodobenzene-1,2-diamine?
The canonical SMILES for 1-N-(2-ethoxyphenyl)-4-iodobenzene-1,2-diamine is CCOc1ccccc1Nc1ccc(I)cc1N.
What is the InChIKey of 1-N-(2-ethoxyphenyl)-4-iodobenzene-1,2-diamine?
The InChIKey is AOGJBGQIQUCYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN2O/c1-2-18-14-6-4-3-5-13(14)17-12-8-7-10(15)9-11(12)16/h3-9,17H,2,16H2,1H3.
What are the key properties of 1-N-(2-ethoxyphenyl)-4-iodobenzene-1,2-diamine?
1-N-(2-ethoxyphenyl)-4-iodobenzene-1,2-diamine has a molecular weight of 354.19 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-ethoxyphenyl)-4-iodobenzene-1,2-diamine is sourced from PubChem (CID 66065259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).