[1-(2-chloro-4-methylphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine

C13H21ClN2O — CID 106868583

IUPAC[1-(2-chloro-4-methylphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
SMILESCOC(C)(C)C(Cc1ccc(C)cc1Cl)NN
InChIInChI=1S/C13H21ClN2O/c1-9-5-6-10(11(14)7-9)8-12(16-15)13(2,3)17-4/h5-7,12,16H,8,15H2,1-4H3
InChIKeyOIBGBLFPCSLHDT-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.45
Rot. Bonds5

About [1-(2-chloro-4-methylphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine

[1-(2-chloro-4-methylphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine (PubChem CID 106868583) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is [1-(2-chloro-4-methylphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-chloro-4-methylphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
PubChem CID106868583
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name[1-(2-chloro-4-methylphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
SMILESCOC(C)(C)C(Cc1ccc(C)cc1Cl)NN
InChIInChI=1S/C13H21ClN2O/c1-9-5-6-10(11(14)7-9)8-12(16-15)13(2,3)17-4/h5-7,12,16H,8,15H2,1-4H3
InChIKeyOIBGBLFPCSLHDT-UHFFFAOYSA-N
XLogP2.45
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.45
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-(4-chloro-2-fluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 105245389
1-(2-chloro-4-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine
CID 79197437
[1-(2-chloro-4-methylphenyl)-3-methoxy-4,4-dimethylpentan-2-yl]hydrazine
CID 106871494
[1-(4-bromo-2-chlorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine
CID 105274474
1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxy-N-propylpentan-2-amine
CID 106868842
[1-(5-bromo-2-fluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 105245363
[1-(2-chloro-4-methylphenyl)-4-methoxybutan-2-yl]hydrazine
CID 106868463
[1-(2-fluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 105245348
1-(2-chloro-4-methylphenyl)butan-2-ylhydrazine
CID 106868414
1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxypentan-2-ol
CID 106867588
[1-(2-chloro-4-methylphenyl)-4,5,5-trimethylhexan-2-yl]hydrazine
CID 106868573
1-(2-chloro-4-methylphenyl)-3-ethoxy-N,3-dimethylpentan-2-amine
CID 106868834

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-4-methylphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine?
The IUPAC name of [1-(2-chloro-4-methylphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine (CID 106868583) is [1-(2-chloro-4-methylphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-chloro-4-methylphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine?
The canonical SMILES for [1-(2-chloro-4-methylphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine is COC(C)(C)C(Cc1ccc(C)cc1Cl)NN.
What is the InChIKey of [1-(2-chloro-4-methylphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine?
The InChIKey is OIBGBLFPCSLHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-9-5-6-10(11(14)7-9)8-12(16-15)13(2,3)17-4/h5-7,12,16H,8,15H2,1-4H3.
What are the key properties of [1-(2-chloro-4-methylphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine?
[1-(2-chloro-4-methylphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine has a molecular weight of 256.78 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-4-methylphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine is sourced from PubChem (CID 106868583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).