[1-(3-chloro-4-iodophenyl)-2-(3-methoxyphenyl)ethyl]hydrazine

C15H16ClIN2O — CID 103217368

IUPAC[1-(3-chloro-4-iodophenyl)-2-(3-methoxyphenyl)ethyl]hydrazine
SMILESCOc1cccc(CC(NN)c2ccc(I)c(Cl)c2)c1
InChIInChI=1S/C15H16ClIN2O/c1-20-12-4-2-3-10(7-12)8-15(19-18)11-5-6-14(17)13(16)9-11/h2-7,9,15,19H,8,18H2,1H3
InChIKeyTZHBNHOYBNGOPL-UHFFFAOYSA-N
MW402.66 g/mol
LogP3.70
Rot. Bonds5

About [1-(3-chloro-4-iodophenyl)-2-(3-methoxyphenyl)ethyl]hydrazine

[1-(3-chloro-4-iodophenyl)-2-(3-methoxyphenyl)ethyl]hydrazine (PubChem CID 103217368) has the molecular formula C15H16ClIN2O and a molecular weight of 402.66 g/mol. Its IUPAC name is [1-(3-chloro-4-iodophenyl)-2-(3-methoxyphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-chloro-4-iodophenyl)-2-(3-methoxyphenyl)ethyl]hydrazine
PubChem CID103217368
Molecular FormulaC15H16ClIN2O
Molecular Weight402.66 g/mol
Exact Mass402.00
IUPAC Name[1-(3-chloro-4-iodophenyl)-2-(3-methoxyphenyl)ethyl]hydrazine
SMILESCOc1cccc(CC(NN)c2ccc(I)c(Cl)c2)c1
InChIInChI=1S/C15H16ClIN2O/c1-20-12-4-2-3-10(7-12)8-15(19-18)11-5-6-14(17)13(16)9-11/h2-7,9,15,19H,8,18H2,1H3
InChIKeyTZHBNHOYBNGOPL-UHFFFAOYSA-N
XLogP3.70
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.66
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(3-methoxyphenyl)-1-(4-methoxyphenyl)ethyl]hydrazine
CID 105190967
[1-(2-chlorophenyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105205130
[1-(3-bromo-4-fluorophenyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105264219
[1-(4-bromo-3-methylphenyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105295298
[1-(3-ethoxyphenyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105192057
[1-(2-chloro-6-fluorophenyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105295289
[2-(4-bromophenyl)-1-(3-chloro-4-iodophenyl)ethyl]hydrazine
CID 103217259
[2-(2,6-dichlorophenyl)-1-(3-methoxyphenyl)ethyl]hydrazine
CID 105191602
1-(3-chloro-4-iodophenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 103214634
[1-(4-chloro-3-methoxyphenyl)-2-phenylethyl]hydrazine
CID 105195152
2-(3-methoxyphenyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 43625329
[2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)ethyl]hydrazine
CID 105295350

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-iodophenyl)-2-(3-methoxyphenyl)ethyl]hydrazine?
The IUPAC name of [1-(3-chloro-4-iodophenyl)-2-(3-methoxyphenyl)ethyl]hydrazine (CID 103217368) is [1-(3-chloro-4-iodophenyl)-2-(3-methoxyphenyl)ethyl]hydrazine.
What is the SMILES notation for [1-(3-chloro-4-iodophenyl)-2-(3-methoxyphenyl)ethyl]hydrazine?
The canonical SMILES for [1-(3-chloro-4-iodophenyl)-2-(3-methoxyphenyl)ethyl]hydrazine is COc1cccc(CC(NN)c2ccc(I)c(Cl)c2)c1.
What is the InChIKey of [1-(3-chloro-4-iodophenyl)-2-(3-methoxyphenyl)ethyl]hydrazine?
The InChIKey is TZHBNHOYBNGOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClIN2O/c1-20-12-4-2-3-10(7-12)8-15(19-18)11-5-6-14(17)13(16)9-11/h2-7,9,15,19H,8,18H2,1H3.
What are the key properties of [1-(3-chloro-4-iodophenyl)-2-(3-methoxyphenyl)ethyl]hydrazine?
[1-(3-chloro-4-iodophenyl)-2-(3-methoxyphenyl)ethyl]hydrazine has a molecular weight of 402.66 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-iodophenyl)-2-(3-methoxyphenyl)ethyl]hydrazine is sourced from PubChem (CID 103217368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).