2-chloro-4-[(2,2-dimethylhydrazinyl)methyl]phenol

C9H13ClN2O — CID 83003612

IUPAC2-chloro-4-[(2,2-dimethylhydrazinyl)methyl]phenol
SMILESCN(C)NCc1ccc(O)c(Cl)c1
InChIInChI=1S/C9H13ClN2O/c1-12(2)11-6-7-3-4-9(13)8(10)5-7/h3-5,11,13H,6H2,1-2H3
InChIKeyJGYZUDQLQVEJAY-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.61
Rot. Bonds3

About 2-chloro-4-[(2,2-dimethylhydrazinyl)methyl]phenol

2-chloro-4-[(2,2-dimethylhydrazinyl)methyl]phenol (PubChem CID 83003612) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 2-chloro-4-[(2,2-dimethylhydrazinyl)methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[(2,2-dimethylhydrazinyl)methyl]phenol
PubChem CID83003612
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name2-chloro-4-[(2,2-dimethylhydrazinyl)methyl]phenol
SMILESCN(C)NCc1ccc(O)c(Cl)c1
InChIInChI=1S/C9H13ClN2O/c1-12(2)11-6-7-3-4-9(13)8(10)5-7/h3-5,11,13H,6H2,1-2H3
InChIKeyJGYZUDQLQVEJAY-UHFFFAOYSA-N
XLogP1.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-[(dimethylamino)methyl]phenol
CID 4289948
2-chloro-4-(hydrazinylmethyl)phenol
CID 45120147
2-[(3-chloro-4-hydroxyphenyl)methylamino]acetonitrile
CID 130620315
2-chloro-4-[(2,4,5-trichloroanilino)methyl]phenol
CID 63419363
2-chloro-4-[[[(1R,2R)-2-methylcyclopropyl]amino]methyl]phenol
CID 94428869
2-chloro-4-[[(2-methylcyclopropyl)amino]methyl]phenol
CID 62396541
2-chloro-4-[[2-[(3,4-dichlorophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol
CID 142099000
2-chloro-4-(propan-2-ylsulfonylmethyl)phenol
CID 117220121
2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol
CID 82981146
2-chloro-4-[3-(3-chloro-4-hydroxyphenyl)propyl]phenol
CID 57252301
2-chloro-4-[[2-[ethyl(propyl)amino]ethylamino]methyl]phenol
CID 113247970
2-chloro-4-[(2-cyclopropylpropan-2-ylamino)methyl]phenol
CID 103700269

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2,2-dimethylhydrazinyl)methyl]phenol?
The IUPAC name of 2-chloro-4-[(2,2-dimethylhydrazinyl)methyl]phenol (CID 83003612) is 2-chloro-4-[(2,2-dimethylhydrazinyl)methyl]phenol.
What is the SMILES notation for 2-chloro-4-[(2,2-dimethylhydrazinyl)methyl]phenol?
The canonical SMILES for 2-chloro-4-[(2,2-dimethylhydrazinyl)methyl]phenol is CN(C)NCc1ccc(O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[(2,2-dimethylhydrazinyl)methyl]phenol?
The InChIKey is JGYZUDQLQVEJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-12(2)11-6-7-3-4-9(13)8(10)5-7/h3-5,11,13H,6H2,1-2H3.
What are the key properties of 2-chloro-4-[(2,2-dimethylhydrazinyl)methyl]phenol?
2-chloro-4-[(2,2-dimethylhydrazinyl)methyl]phenol has a molecular weight of 200.67 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2,2-dimethylhydrazinyl)methyl]phenol is sourced from PubChem (CID 83003612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).