2-[2-[2-(3,4-dichlorophenyl)-2-methylpropyl]hydrazinyl]ethanol;dihydrochloride

C12H20Cl4N2O — CID 67636355

IUPAC2-[2-[2-(3,4-dichlorophenyl)-2-methylpropyl]hydrazinyl]ethanol;dihydrochloride
SMILESCC(C)(CNNCCO)c1ccc(Cl)c(Cl)c1.Cl.Cl
InChIInChI=1S/C12H18Cl2N2O.2ClH/c1-12(2,8-16-15-5-6-17)9-3-4-10(13)11(14)7-9;;/h3-4,7,15-17H,5-6,8H2,1-2H3;2*1H
InChIKeyCNPDCULEJZOIIH-UHFFFAOYSA-N
MW350.12 g/mol
LogP3.20
Rot. Bonds6

About 2-[2-[2-(3,4-dichlorophenyl)-2-methylpropyl]hydrazinyl]ethanol;dihydrochloride

2-[2-[2-(3,4-dichlorophenyl)-2-methylpropyl]hydrazinyl]ethanol;dihydrochloride (PubChem CID 67636355) has the molecular formula C12H20Cl4N2O and a molecular weight of 350.12 g/mol. Its IUPAC name is 2-[2-[2-(3,4-dichlorophenyl)-2-methylpropyl]hydrazinyl]ethanol;dihydrochloride.

Molecular Properties

Compound Name2-[2-[2-(3,4-dichlorophenyl)-2-methylpropyl]hydrazinyl]ethanol;dihydrochloride
PubChem CID67636355
Molecular FormulaC12H20Cl4N2O
Molecular Weight350.12 g/mol
Exact Mass348.03
IUPAC Name2-[2-[2-(3,4-dichlorophenyl)-2-methylpropyl]hydrazinyl]ethanol;dihydrochloride
SMILESCC(C)(CNNCCO)c1ccc(Cl)c(Cl)c1.Cl.Cl
InChIInChI=1S/C12H18Cl2N2O.2ClH/c1-12(2,8-16-15-5-6-17)9-3-4-10(13)11(14)7-9;;/h3-4,7,15-17H,5-6,8H2,1-2H3;2*1H
InChIKeyCNPDCULEJZOIIH-UHFFFAOYSA-N
XLogP3.20
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.12
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3,4-dichlorophenyl)-2-methylpropyl]hydrazinyl]ethanol;dihydrochloride?
The IUPAC name of 2-[2-[2-(3,4-dichlorophenyl)-2-methylpropyl]hydrazinyl]ethanol;dihydrochloride (CID 67636355) is 2-[2-[2-(3,4-dichlorophenyl)-2-methylpropyl]hydrazinyl]ethanol;dihydrochloride.
What is the SMILES notation for 2-[2-[2-(3,4-dichlorophenyl)-2-methylpropyl]hydrazinyl]ethanol;dihydrochloride?
The canonical SMILES for 2-[2-[2-(3,4-dichlorophenyl)-2-methylpropyl]hydrazinyl]ethanol;dihydrochloride is CC(C)(CNNCCO)c1ccc(Cl)c(Cl)c1.Cl.Cl.
What is the InChIKey of 2-[2-[2-(3,4-dichlorophenyl)-2-methylpropyl]hydrazinyl]ethanol;dihydrochloride?
The InChIKey is CNPDCULEJZOIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2O.2ClH/c1-12(2,8-16-15-5-6-17)9-3-4-10(13)11(14)7-9;;/h3-4,7,15-17H,5-6,8H2,1-2H3;2*1H.
What are the key properties of 2-[2-[2-(3,4-dichlorophenyl)-2-methylpropyl]hydrazinyl]ethanol;dihydrochloride?
2-[2-[2-(3,4-dichlorophenyl)-2-methylpropyl]hydrazinyl]ethanol;dihydrochloride has a molecular weight of 350.12 g/mol, XLogP of 3.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3,4-dichlorophenyl)-2-methylpropyl]hydrazinyl]ethanol;dihydrochloride is sourced from PubChem (CID 67636355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).