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

C17H21IN2O — CID 105310368

IUPAC[2-(4-iodophenyl)-1-(3-propoxyphenyl)ethyl]hydrazine
SMILESCCCOc1cccc(C(Cc2ccc(I)cc2)NN)c1
InChIInChI=1S/C17H21IN2O/c1-2-10-21-16-5-3-4-14(12-16)17(20-19)11-13-6-8-15(18)9-7-13/h3-9,12,17,20H,2,10-11,19H2,1H3
InChIKeyUMJKJJCMUQMMFU-UHFFFAOYSA-N
MW396.27 g/mol
LogP3.83
Rot. Bonds7

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

[2-(4-iodophenyl)-1-(3-propoxyphenyl)ethyl]hydrazine (PubChem CID 105310368) has the molecular formula C17H21IN2O and a molecular weight of 396.27 g/mol. Its IUPAC name is [2-(4-iodophenyl)-1-(3-propoxyphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-iodophenyl)-1-(3-propoxyphenyl)ethyl]hydrazine
PubChem CID105310368
Molecular FormulaC17H21IN2O
Molecular Weight396.27 g/mol
Exact Mass396.07
IUPAC Name[2-(4-iodophenyl)-1-(3-propoxyphenyl)ethyl]hydrazine
SMILESCCCOc1cccc(C(Cc2ccc(I)cc2)NN)c1
InChIInChI=1S/C17H21IN2O/c1-2-10-21-16-5-3-4-14(12-16)17(20-19)11-13-6-8-15(18)9-7-13/h3-9,12,17,20H,2,10-11,19H2,1H3
InChIKeyUMJKJJCMUQMMFU-UHFFFAOYSA-N
XLogP3.83
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 53.83
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

[1-(3-ethoxyphenyl)-2-(4-iodophenyl)ethyl]hydrazine
CID 105191961
[2-(4-iodophenyl)-1-(3-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105310242
[2-(5-bromo-3-pyridinyl)-1-(3-propoxyphenyl)ethyl]hydrazine
CID 105334826
[3-methyl-1-(3-propoxyphenyl)butyl]hydrazine
CID 105282817
[2-(4-bromophenyl)-1-(3-ethoxyphenyl)ethyl]hydrazine
CID 105192046
[2-(4-ethylphenyl)-1-(3-iodophenyl)ethyl]hydrazine
CID 105287837
3-[1-hydrazinyl-2-(4-iodophenyl)ethyl]-N,N-dimethylaniline
CID 105310254
[2-propan-2-yloxy-1-(3-propoxyphenyl)ethyl]hydrazine
CID 105323803
[2-(4-bromothiophen-2-yl)-1-(3-propoxyphenyl)ethyl]hydrazine
CID 105299378
[2-phenyl-1-(5-propoxy-3-pyridinyl)ethyl]hydrazine
CID 105195381
1-(3-propoxyphenyl)prop-2-ynylhydrazine
CID 105315638
[2-(4-iodophenyl)-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105193885

Frequently Asked Questions

What is the IUPAC name of [2-(4-iodophenyl)-1-(3-propoxyphenyl)ethyl]hydrazine?
The IUPAC name of [2-(4-iodophenyl)-1-(3-propoxyphenyl)ethyl]hydrazine (CID 105310368) is [2-(4-iodophenyl)-1-(3-propoxyphenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-iodophenyl)-1-(3-propoxyphenyl)ethyl]hydrazine?
The canonical SMILES for [2-(4-iodophenyl)-1-(3-propoxyphenyl)ethyl]hydrazine is CCCOc1cccc(C(Cc2ccc(I)cc2)NN)c1.
What is the InChIKey of [2-(4-iodophenyl)-1-(3-propoxyphenyl)ethyl]hydrazine?
The InChIKey is UMJKJJCMUQMMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21IN2O/c1-2-10-21-16-5-3-4-14(12-16)17(20-19)11-13-6-8-15(18)9-7-13/h3-9,12,17,20H,2,10-11,19H2,1H3.
What are the key properties of [2-(4-iodophenyl)-1-(3-propoxyphenyl)ethyl]hydrazine?
[2-(4-iodophenyl)-1-(3-propoxyphenyl)ethyl]hydrazine has a molecular weight of 396.27 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-iodophenyl)-1-(3-propoxyphenyl)ethyl]hydrazine is sourced from PubChem (CID 105310368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).