[(2-chloro-4-methylphenyl)-(oxan-4-yl)methyl]hydrazine

C13H19ClN2O — CID 106859916

IUPAC[(2-chloro-4-methylphenyl)-(oxan-4-yl)methyl]hydrazine
SMILESCc1ccc(C(NN)C2CCOCC2)c(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-9-2-3-11(12(14)8-9)13(16-15)10-4-6-17-7-5-10/h2-3,8,10,13,16H,4-7,15H2,1H3
InChIKeyGYQYWYKHJZAJSG-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.58
Rot. Bonds3

About [(2-chloro-4-methylphenyl)-(oxan-4-yl)methyl]hydrazine

[(2-chloro-4-methylphenyl)-(oxan-4-yl)methyl]hydrazine (PubChem CID 106859916) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is [(2-chloro-4-methylphenyl)-(oxan-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-chloro-4-methylphenyl)-(oxan-4-yl)methyl]hydrazine
PubChem CID106859916
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name[(2-chloro-4-methylphenyl)-(oxan-4-yl)methyl]hydrazine
SMILESCc1ccc(C(NN)C2CCOCC2)c(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-9-2-3-11(12(14)8-9)13(16-15)10-4-6-17-7-5-10/h2-3,8,10,13,16H,4-7,15H2,1H3
InChIKeyGYQYWYKHJZAJSG-UHFFFAOYSA-N
XLogP2.58
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2-chloro-4-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 106860109
[(2,4-dimethylphenyl)-(oxolan-3-yl)methyl]hydrazine
CID 105229339
[(2-chloro-5-fluorophenyl)-(oxan-4-yl)methyl]hydrazine
CID 105397846
(2-chloro-4-methylphenyl)-(oxolan-3-yl)methanamine
CID 106857610
[2-(2-chloro-4-methylphenyl)-1-(oxan-4-yl)ethyl]hydrazine
CID 106868666
[(2-methoxy-4-methylphenyl)-(oxolan-3-yl)methyl]hydrazine
CID 106793716
[(2-bromo-5-methylphenyl)-(oxolan-3-yl)methyl]hydrazine
CID 105306637
[(2-chloro-4-methylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 106860095
[(5-fluoro-2-methylphenyl)-(oxan-4-yl)methyl]hydrazine
CID 105211548
1-(2-chloro-4-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 106857381
[(2,4-dimethylphenyl)-(4-propan-2-ylcyclohexyl)methyl]hydrazine
CID 105232458
[cyclohexyl-(2,4-dichlorophenyl)methyl]hydrazine
CID 105282000

Frequently Asked Questions

What is the IUPAC name of [(2-chloro-4-methylphenyl)-(oxan-4-yl)methyl]hydrazine?
The IUPAC name of [(2-chloro-4-methylphenyl)-(oxan-4-yl)methyl]hydrazine (CID 106859916) is [(2-chloro-4-methylphenyl)-(oxan-4-yl)methyl]hydrazine.
What is the SMILES notation for [(2-chloro-4-methylphenyl)-(oxan-4-yl)methyl]hydrazine?
The canonical SMILES for [(2-chloro-4-methylphenyl)-(oxan-4-yl)methyl]hydrazine is Cc1ccc(C(NN)C2CCOCC2)c(Cl)c1.
What is the InChIKey of [(2-chloro-4-methylphenyl)-(oxan-4-yl)methyl]hydrazine?
The InChIKey is GYQYWYKHJZAJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-9-2-3-11(12(14)8-9)13(16-15)10-4-6-17-7-5-10/h2-3,8,10,13,16H,4-7,15H2,1H3.
What are the key properties of [(2-chloro-4-methylphenyl)-(oxan-4-yl)methyl]hydrazine?
[(2-chloro-4-methylphenyl)-(oxan-4-yl)methyl]hydrazine has a molecular weight of 254.76 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-chloro-4-methylphenyl)-(oxan-4-yl)methyl]hydrazine is sourced from PubChem (CID 106859916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).