2-(3-tert-butyl-4-methoxyphenyl)ethylhydrazine

C13H22N2O — CID 94684195

IUPAC2-(3-tert-butyl-4-methoxyphenyl)ethylhydrazine
SMILESCOc1ccc(CCNN)cc1C(C)(C)C
InChIInChI=1S/C13H22N2O/c1-13(2,3)11-9-10(7-8-15-14)5-6-12(11)16-4/h5-6,9,15H,7-8,14H2,1-4H3
InChIKeyRYXQCQVPQVEUDI-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.00
Rot. Bonds4

About 2-(3-tert-butyl-4-methoxyphenyl)ethylhydrazine

2-(3-tert-butyl-4-methoxyphenyl)ethylhydrazine (PubChem CID 94684195) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(3-tert-butyl-4-methoxyphenyl)ethylhydrazine.

Molecular Properties

Compound Name2-(3-tert-butyl-4-methoxyphenyl)ethylhydrazine
PubChem CID94684195
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-(3-tert-butyl-4-methoxyphenyl)ethylhydrazine
SMILESCOc1ccc(CCNN)cc1C(C)(C)C
InChIInChI=1S/C13H22N2O/c1-13(2,3)11-9-10(7-8-15-14)5-6-12(11)16-4/h5-6,9,15H,7-8,14H2,1-4H3
InChIKeyRYXQCQVPQVEUDI-UHFFFAOYSA-N
XLogP2.00
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.00
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

N'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195388
2-(3-tert-butyl-4-methoxyphenyl)-N-(methoxymethyl)ethanamine
CID 115258824
2-(3,4-dimethoxyphenyl)ethylhydrazine
CID 18070259
4-(2-bromoethyl)-2-tert-butyl-1-methoxybenzene
CID 82488264
2-(3-tert-butyl-4-methoxyphenyl)ethylcarbamothioic S-acid
CID 115170243
1-[2-(3-tert-butyl-4-methoxyphenyl)ethylamino]propan-2-one
CID 115234974
methyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate
CID 82553687
3-(3-tert-butyl-4-methoxyphenyl)propanenitrile
CID 82471944
N'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-N'-methylmethanediamine
CID 115226184
2-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]guanidine
CID 112518697
2-hydroxyethyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate
CID 21199201
1-amino-3-(3-tert-butyl-4-methoxyphenyl)propan-2-ol
CID 116859135

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-4-methoxyphenyl)ethylhydrazine?
The IUPAC name of 2-(3-tert-butyl-4-methoxyphenyl)ethylhydrazine (CID 94684195) is 2-(3-tert-butyl-4-methoxyphenyl)ethylhydrazine.
What is the SMILES notation for 2-(3-tert-butyl-4-methoxyphenyl)ethylhydrazine?
The canonical SMILES for 2-(3-tert-butyl-4-methoxyphenyl)ethylhydrazine is COc1ccc(CCNN)cc1C(C)(C)C.
What is the InChIKey of 2-(3-tert-butyl-4-methoxyphenyl)ethylhydrazine?
The InChIKey is RYXQCQVPQVEUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-13(2,3)11-9-10(7-8-15-14)5-6-12(11)16-4/h5-6,9,15H,7-8,14H2,1-4H3.
What are the key properties of 2-(3-tert-butyl-4-methoxyphenyl)ethylhydrazine?
2-(3-tert-butyl-4-methoxyphenyl)ethylhydrazine has a molecular weight of 222.33 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-4-methoxyphenyl)ethylhydrazine is sourced from PubChem (CID 94684195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).