5-ethoxy-3-N-(2-iodophenyl)benzene-1,3-diamine

C14H15IN2O — CID 80722252

IUPAC5-ethoxy-3-N-(2-iodophenyl)benzene-1,3-diamine
SMILESCCOc1cc(N)cc(Nc2ccccc2I)c1
InChIInChI=1S/C14H15IN2O/c1-2-18-12-8-10(16)7-11(9-12)17-14-6-4-3-5-13(14)15/h3-9,17H,2,16H2,1H3
InChIKeyCWNBCSWZCJBGNC-UHFFFAOYSA-N
MW354.19 g/mol
LogP4.02
Rot. Bonds4

About 5-ethoxy-3-N-(2-iodophenyl)benzene-1,3-diamine

5-ethoxy-3-N-(2-iodophenyl)benzene-1,3-diamine (PubChem CID 80722252) has the molecular formula C14H15IN2O and a molecular weight of 354.19 g/mol. Its IUPAC name is 5-ethoxy-3-N-(2-iodophenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-ethoxy-3-N-(2-iodophenyl)benzene-1,3-diamine
PubChem CID80722252
Molecular FormulaC14H15IN2O
Molecular Weight354.19 g/mol
Exact Mass354.02
IUPAC Name5-ethoxy-3-N-(2-iodophenyl)benzene-1,3-diamine
SMILESCCOc1cc(N)cc(Nc2ccccc2I)c1
InChIInChI=1S/C14H15IN2O/c1-2-18-12-8-10(16)7-11(9-12)17-14-6-4-3-5-13(14)15/h3-9,17H,2,16H2,1H3
InChIKeyCWNBCSWZCJBGNC-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

5-ethoxy-3-N-(2-methylphenyl)benzene-1,3-diamine
CID 80721684
5-ethoxy-3-N-(4-fluorophenyl)benzene-1,3-diamine
CID 80723582
3-N-(2-bromo-5-fluorophenyl)-5-ethoxybenzene-1,3-diamine
CID 107634380
3-N-(4-bromo-2-chlorophenyl)-5-ethoxybenzene-1,3-diamine
CID 80722933
3-N-(2-bromophenyl)-5-propoxybenzene-1,3-diamine
CID 80723449
3-N-(4-bromophenyl)-5-ethoxybenzene-1,3-diamine
CID 80721814
3-N-(2,5-dichloro-4-methylphenyl)-5-ethoxybenzene-1,3-diamine
CID 104725826
5-ethoxy-3-N-(4-methylsulfanylphenyl)benzene-1,3-diamine
CID 80722731
5-ethoxy-3-N-thiophen-3-ylbenzene-1,3-diamine
CID 80736004
4-(3-amino-5-ethoxyanilino)-3-chlorobenzonitrile
CID 107806999
5-methoxy-3-N-(2-methoxyphenyl)benzene-1,3-diamine
CID 80722898
3,5-diethoxyaniline
CID 22605063

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-N-(2-iodophenyl)benzene-1,3-diamine?
The IUPAC name of 5-ethoxy-3-N-(2-iodophenyl)benzene-1,3-diamine (CID 80722252) is 5-ethoxy-3-N-(2-iodophenyl)benzene-1,3-diamine.
What is the SMILES notation for 5-ethoxy-3-N-(2-iodophenyl)benzene-1,3-diamine?
The canonical SMILES for 5-ethoxy-3-N-(2-iodophenyl)benzene-1,3-diamine is CCOc1cc(N)cc(Nc2ccccc2I)c1.
What is the InChIKey of 5-ethoxy-3-N-(2-iodophenyl)benzene-1,3-diamine?
The InChIKey is CWNBCSWZCJBGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN2O/c1-2-18-12-8-10(16)7-11(9-12)17-14-6-4-3-5-13(14)15/h3-9,17H,2,16H2,1H3.
What are the key properties of 5-ethoxy-3-N-(2-iodophenyl)benzene-1,3-diamine?
5-ethoxy-3-N-(2-iodophenyl)benzene-1,3-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 5-ethoxy-3-N-(2-iodophenyl)benzene-1,3-diamine is sourced from PubChem (CID 80722252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).