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

C12H18Cl2N2O — CID 67636356

IUPAC2-[2-[2-(3,4-dichlorophenyl)-2-methylpropyl]hydrazinyl]ethanol
SMILESCC(C)(CNNCCO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H18Cl2N2O/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
InChIKeyDDKOOIISBJXASR-UHFFFAOYSA-N
MW277.20 g/mol
LogP2.36
Rot. Bonds6

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

2-[2-[2-(3,4-dichlorophenyl)-2-methylpropyl]hydrazinyl]ethanol (PubChem CID 67636356) has the molecular formula C12H18Cl2N2O and a molecular weight of 277.20 g/mol. Its IUPAC name is 2-[2-[2-(3,4-dichlorophenyl)-2-methylpropyl]hydrazinyl]ethanol.

Molecular Properties

Compound Name2-[2-[2-(3,4-dichlorophenyl)-2-methylpropyl]hydrazinyl]ethanol
PubChem CID67636356
Molecular FormulaC12H18Cl2N2O
Molecular Weight277.20 g/mol
Exact Mass276.08
IUPAC Name2-[2-[2-(3,4-dichlorophenyl)-2-methylpropyl]hydrazinyl]ethanol
SMILESCC(C)(CNNCCO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H18Cl2N2O/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
InChIKeyDDKOOIISBJXASR-UHFFFAOYSA-N
XLogP2.36
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 52.36
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?
The IUPAC name of 2-[2-[2-(3,4-dichlorophenyl)-2-methylpropyl]hydrazinyl]ethanol (CID 67636356) is 2-[2-[2-(3,4-dichlorophenyl)-2-methylpropyl]hydrazinyl]ethanol.
What is the SMILES notation for 2-[2-[2-(3,4-dichlorophenyl)-2-methylpropyl]hydrazinyl]ethanol?
The canonical SMILES for 2-[2-[2-(3,4-dichlorophenyl)-2-methylpropyl]hydrazinyl]ethanol is CC(C)(CNNCCO)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[2-[2-(3,4-dichlorophenyl)-2-methylpropyl]hydrazinyl]ethanol?
The InChIKey is DDKOOIISBJXASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2O/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.
What are the key properties of 2-[2-[2-(3,4-dichlorophenyl)-2-methylpropyl]hydrazinyl]ethanol?
2-[2-[2-(3,4-dichlorophenyl)-2-methylpropyl]hydrazinyl]ethanol has a molecular weight of 277.20 g/mol, XLogP of 2.36, 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 is sourced from PubChem (CID 67636356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).