[1-(2-chlorophenyl)-2-methoxy-3-methylbutyl]hydrazine

C12H19ClN2O — CID 105271941

IUPAC[1-(2-chlorophenyl)-2-methoxy-3-methylbutyl]hydrazine
SMILESCOC(C(C)C)C(NN)c1ccccc1Cl
InChIInChI=1S/C12H19ClN2O/c1-8(2)12(16-3)11(15-14)9-6-4-5-7-10(9)13/h4-8,11-12,15H,14H2,1-3H3
InChIKeyZJLIQNSZVKBDRU-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.52
Rot. Bonds5

About [1-(2-chlorophenyl)-2-methoxy-3-methylbutyl]hydrazine

[1-(2-chlorophenyl)-2-methoxy-3-methylbutyl]hydrazine (PubChem CID 105271941) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is [1-(2-chlorophenyl)-2-methoxy-3-methylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(2-chlorophenyl)-2-methoxy-3-methylbutyl]hydrazine
PubChem CID105271941
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name[1-(2-chlorophenyl)-2-methoxy-3-methylbutyl]hydrazine
SMILESCOC(C(C)C)C(NN)c1ccccc1Cl
InChIInChI=1S/C12H19ClN2O/c1-8(2)12(16-3)11(15-14)9-6-4-5-7-10(9)13/h4-8,11-12,15H,14H2,1-3H3
InChIKeyZJLIQNSZVKBDRU-UHFFFAOYSA-N
XLogP2.52
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.52
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

[1-(2,4-difluorophenyl)-2-methoxy-3-methylbutyl]hydrazine
CID 105272113
[2-methoxy-3-methyl-1-(4-phenylphenyl)butyl]hydrazine
CID 105271982
[1-(2-chlorophenyl)-2-ethoxy-3,3-dimethylbutyl]hydrazine
CID 105273639
1-(2-chlorophenyl)-2-ethoxy-3-methylbutan-1-amine
CID 116720791
N-[2-(2-chlorophenyl)-2-methoxyethyl]propan-2-amine
CID 62107818
[chloro-(2-chlorophenyl)methyl]hydrazine
CID 70089531
[1-(2,3-dichlorophenyl)-2-methoxybutyl]hydrazine
CID 105270727
1-(2-chlorophenyl)-N-cyclopentyloxyethanamine
CID 83228544
dimethyl 2-(2-chlorophenyl)propanedioate
CID 18710443
1-(2-chlorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 115801757
1-(2,5-dichlorophenyl)-2-methoxy-3-methylbutan-1-amine
CID 116719639
[1-(2-chlorophenyl)-4-methoxybutyl]hydrazine
CID 105211131

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)-2-methoxy-3-methylbutyl]hydrazine?
The IUPAC name of [1-(2-chlorophenyl)-2-methoxy-3-methylbutyl]hydrazine (CID 105271941) is [1-(2-chlorophenyl)-2-methoxy-3-methylbutyl]hydrazine.
What is the SMILES notation for [1-(2-chlorophenyl)-2-methoxy-3-methylbutyl]hydrazine?
The canonical SMILES for [1-(2-chlorophenyl)-2-methoxy-3-methylbutyl]hydrazine is COC(C(C)C)C(NN)c1ccccc1Cl.
What is the InChIKey of [1-(2-chlorophenyl)-2-methoxy-3-methylbutyl]hydrazine?
The InChIKey is ZJLIQNSZVKBDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-8(2)12(16-3)11(15-14)9-6-4-5-7-10(9)13/h4-8,11-12,15H,14H2,1-3H3.
What are the key properties of [1-(2-chlorophenyl)-2-methoxy-3-methylbutyl]hydrazine?
[1-(2-chlorophenyl)-2-methoxy-3-methylbutyl]hydrazine has a molecular weight of 242.75 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)-2-methoxy-3-methylbutyl]hydrazine is sourced from PubChem (CID 105271941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).