1-N-(3-ethoxyphenyl)-4-iodobenzene-1,2-diamine

C14H15IN2O — CID 66066299

IUPAC1-N-(3-ethoxyphenyl)-4-iodobenzene-1,2-diamine
SMILESCCOc1cccc(Nc2ccc(I)cc2N)c1
InChIInChI=1S/C14H15IN2O/c1-2-18-12-5-3-4-11(9-12)17-14-7-6-10(15)8-13(14)16/h3-9,17H,2,16H2,1H3
InChIKeyARRSHCLTGAFGLU-UHFFFAOYSA-N
MW354.19 g/mol
LogP4.02
Rot. Bonds4

About 1-N-(3-ethoxyphenyl)-4-iodobenzene-1,2-diamine

1-N-(3-ethoxyphenyl)-4-iodobenzene-1,2-diamine (PubChem CID 66066299) has the molecular formula C14H15IN2O and a molecular weight of 354.19 g/mol. Its IUPAC name is 1-N-(3-ethoxyphenyl)-4-iodobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-ethoxyphenyl)-4-iodobenzene-1,2-diamine
PubChem CID66066299
Molecular FormulaC14H15IN2O
Molecular Weight354.19 g/mol
Exact Mass354.02
IUPAC Name1-N-(3-ethoxyphenyl)-4-iodobenzene-1,2-diamine
SMILESCCOc1cccc(Nc2ccc(I)cc2N)c1
InChIInChI=1S/C14H15IN2O/c1-2-18-12-5-3-4-11(9-12)17-14-7-6-10(15)8-13(14)16/h3-9,17H,2,16H2,1H3
InChIKeyARRSHCLTGAFGLU-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

2-N-(3-ethoxyphenyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66101863
1-N-(2-ethoxyphenyl)-4-iodobenzene-1,2-diamine
CID 66065259
3-amino-4-(3-ethoxyanilino)-N-methylbenzamide
CID 82991688
2-N-(3-ethoxyphenyl)-4-fluorobenzene-1,2-diamine
CID 62377477
3-ethoxy-2-N-(3-ethoxyphenyl)benzene-1,2-diamine
CID 140989971
1-N-(3-heptoxyphenyl)benzene-1,2,4-triamine
CID 54794959
1-N-(4-ethoxyphenyl)-4-fluorobenzene-1,2-diamine
CID 29066421
4-N-(3-ethoxyphenyl)pyrimidine-4,5-diamine
CID 79917337
5-bromo-2-(3-ethoxyanilino)benzenecarbothioamide
CID 114891537
N-(3-ethoxyphenyl)hydroxylamine
CID 13347158
4-ethoxy-2-methyl-N-(3-methylphenyl)aniline
CID 70470964
4-(3-ethoxyanilino)-3-methylbenzoic acid
CID 63212509

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-ethoxyphenyl)-4-iodobenzene-1,2-diamine?
The IUPAC name of 1-N-(3-ethoxyphenyl)-4-iodobenzene-1,2-diamine (CID 66066299) is 1-N-(3-ethoxyphenyl)-4-iodobenzene-1,2-diamine.
What is the SMILES notation for 1-N-(3-ethoxyphenyl)-4-iodobenzene-1,2-diamine?
The canonical SMILES for 1-N-(3-ethoxyphenyl)-4-iodobenzene-1,2-diamine is CCOc1cccc(Nc2ccc(I)cc2N)c1.
What is the InChIKey of 1-N-(3-ethoxyphenyl)-4-iodobenzene-1,2-diamine?
The InChIKey is ARRSHCLTGAFGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN2O/c1-2-18-12-5-3-4-11(9-12)17-14-7-6-10(15)8-13(14)16/h3-9,17H,2,16H2,1H3.
What are the key properties of 1-N-(3-ethoxyphenyl)-4-iodobenzene-1,2-diamine?
1-N-(3-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-(3-ethoxyphenyl)-4-iodobenzene-1,2-diamine is sourced from PubChem (CID 66066299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).