[3-(4-iodophenyl)-1,1-dimethoxypropan-2-yl]hydrazine

C11H17IN2O2 — CID 105246005

IUPAC[3-(4-iodophenyl)-1,1-dimethoxypropan-2-yl]hydrazine
SMILESCOC(OC)C(Cc1ccc(I)cc1)NN
InChIInChI=1S/C11H17IN2O2/c1-15-11(16-2)10(14-13)7-8-3-5-9(12)6-4-8/h3-6,10-11,14H,7,13H2,1-2H3
InChIKeyUYAZGXQIPYDEGN-UHFFFAOYSA-N
MW336.17 g/mol
LogP1.28
Rot. Bonds6

About [3-(4-iodophenyl)-1,1-dimethoxypropan-2-yl]hydrazine

[3-(4-iodophenyl)-1,1-dimethoxypropan-2-yl]hydrazine (PubChem CID 105246005) has the molecular formula C11H17IN2O2 and a molecular weight of 336.17 g/mol. Its IUPAC name is [3-(4-iodophenyl)-1,1-dimethoxypropan-2-yl]hydrazine.

Molecular Properties

Compound Name[3-(4-iodophenyl)-1,1-dimethoxypropan-2-yl]hydrazine
PubChem CID105246005
Molecular FormulaC11H17IN2O2
Molecular Weight336.17 g/mol
Exact Mass336.03
IUPAC Name[3-(4-iodophenyl)-1,1-dimethoxypropan-2-yl]hydrazine
SMILESCOC(OC)C(Cc1ccc(I)cc1)NN
InChIInChI=1S/C11H17IN2O2/c1-15-11(16-2)10(14-13)7-8-3-5-9(12)6-4-8/h3-6,10-11,14H,7,13H2,1-2H3
InChIKeyUYAZGXQIPYDEGN-UHFFFAOYSA-N
XLogP1.28
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.17
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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

[3-(4-iodophenyl)-1-methoxy-1-phenylpropan-2-yl]hydrazine
CID 105279065
[1,1-difluoro-3-(4-iodophenyl)propan-2-yl]hydrazine
CID 105265085
[1,1-dimethoxy-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105245974
1-(4-iodophenyl)-3-methoxy-N-methylpentan-2-amine
CID 116715433
[2-(4-iodophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine
CID 105278223
3-(4-ethylphenyl)-1,1-dimethoxy-N-methylpropan-2-amine
CID 79492024
[1-(4-iodophenyl)-3-methylsulfonylpropan-2-yl]hydrazine
CID 105310388
[1-(3,4-difluorophenyl)-3-(4-iodophenyl)propan-2-yl]hydrazine
CID 105310411
[1-(2,6-dichlorophenyl)-3-(4-iodophenyl)propan-2-yl]hydrazine
CID 105209757
[1-(4-ethylphenyl)-3-methoxyhexan-2-yl]hydrazine
CID 105271593
[1,1,1-trifluoro-3-(4-iodophenyl)propan-2-yl]hydrazine
CID 105215678
[1,1-dimethoxy-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine
CID 105246156

Frequently Asked Questions

What is the IUPAC name of [3-(4-iodophenyl)-1,1-dimethoxypropan-2-yl]hydrazine?
The IUPAC name of [3-(4-iodophenyl)-1,1-dimethoxypropan-2-yl]hydrazine (CID 105246005) is [3-(4-iodophenyl)-1,1-dimethoxypropan-2-yl]hydrazine.
What is the SMILES notation for [3-(4-iodophenyl)-1,1-dimethoxypropan-2-yl]hydrazine?
The canonical SMILES for [3-(4-iodophenyl)-1,1-dimethoxypropan-2-yl]hydrazine is COC(OC)C(Cc1ccc(I)cc1)NN.
What is the InChIKey of [3-(4-iodophenyl)-1,1-dimethoxypropan-2-yl]hydrazine?
The InChIKey is UYAZGXQIPYDEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN2O2/c1-15-11(16-2)10(14-13)7-8-3-5-9(12)6-4-8/h3-6,10-11,14H,7,13H2,1-2H3.
What are the key properties of [3-(4-iodophenyl)-1,1-dimethoxypropan-2-yl]hydrazine?
[3-(4-iodophenyl)-1,1-dimethoxypropan-2-yl]hydrazine has a molecular weight of 336.17 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-iodophenyl)-1,1-dimethoxypropan-2-yl]hydrazine is sourced from PubChem (CID 105246005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).