[1-(3-chloro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine

C13H21ClN2O — CID 107562550

IUPAC[1-(3-chloro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine
SMILESCc1ccc(C(COC(C)(C)C)NN)cc1Cl
InChIInChI=1S/C13H21ClN2O/c1-9-5-6-10(7-11(9)14)12(16-15)8-17-13(2,3)4/h5-7,12,16H,8,15H2,1-4H3
InChIKeyFHRYWOKESAGREM-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.97
Rot. Bonds4

About [1-(3-chloro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine

[1-(3-chloro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine (PubChem CID 107562550) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is [1-(3-chloro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-chloro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine
PubChem CID107562550
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name[1-(3-chloro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine
SMILESCc1ccc(C(COC(C)(C)C)NN)cc1Cl
InChIInChI=1S/C13H21ClN2O/c1-9-5-6-10(7-11(9)14)12(16-15)8-17-13(2,3)4/h5-7,12,16H,8,15H2,1-4H3
InChIKeyFHRYWOKESAGREM-UHFFFAOYSA-N
XLogP2.97
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.97
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-tert-butylsulfanyl-1-(3-chloro-4-methylphenyl)ethyl]hydrazine
CID 107562353
[1-(3-chloro-4-methylphenyl)-4,4,4-trifluorobutyl]hydrazine
CID 105313900
[1-(3-chloro-4-methylphenyl)-3-ethylpentyl]hydrazine
CID 105331071
[1-(3-chloro-4-methylphenyl)-3-cyclopropylpropyl]hydrazine
CID 105315126
[1-(3-chloro-4-methylphenyl)-5-methylhexyl]hydrazine
CID 105331315
[1-(3,4-dichlorophenyl)-2-propan-2-yloxyethyl]hydrazine
CID 105257205
[1-(3-chloro-4-methylphenyl)-2-cyclobutylethyl]hydrazine
CID 105310083
[1-(5-fluoro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine
CID 105302263
[1-(3-chloro-4-methylphenyl)-2-(4-iodophenyl)ethyl]hydrazine
CID 105310314
[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine
CID 105302957
[(4-tert-butylphenyl)-(3-chloro-4-methylphenyl)methyl]hydrazine
CID 105300392
[2-[(2-methylpropan-2-yl)oxy]-1-thiophen-3-ylethyl]hydrazine
CID 105312095

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine?
The IUPAC name of [1-(3-chloro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine (CID 107562550) is [1-(3-chloro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine.
What is the SMILES notation for [1-(3-chloro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine?
The canonical SMILES for [1-(3-chloro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine is Cc1ccc(C(COC(C)(C)C)NN)cc1Cl.
What is the InChIKey of [1-(3-chloro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine?
The InChIKey is FHRYWOKESAGREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-9-5-6-10(7-11(9)14)12(16-15)8-17-13(2,3)4/h5-7,12,16H,8,15H2,1-4H3.
What are the key properties of [1-(3-chloro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine?
[1-(3-chloro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine has a molecular weight of 256.78 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine is sourced from PubChem (CID 107562550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).