[1-(2-chlorophenyl)-2-ethoxy-3,3-dimethylbutyl]hydrazine

C14H23ClN2O — CID 105273639

IUPAC[1-(2-chlorophenyl)-2-ethoxy-3,3-dimethylbutyl]hydrazine
SMILESCCOC(C(NN)c1ccccc1Cl)C(C)(C)C
InChIInChI=1S/C14H23ClN2O/c1-5-18-13(14(2,3)4)12(17-16)10-8-6-7-9-11(10)15/h6-9,12-13,17H,5,16H2,1-4H3
InChIKeyBTTAJBSXMQGLSK-UHFFFAOYSA-N
MW270.80 g/mol
LogP3.30
Rot. Bonds5

About [1-(2-chlorophenyl)-2-ethoxy-3,3-dimethylbutyl]hydrazine

[1-(2-chlorophenyl)-2-ethoxy-3,3-dimethylbutyl]hydrazine (PubChem CID 105273639) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is [1-(2-chlorophenyl)-2-ethoxy-3,3-dimethylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(2-chlorophenyl)-2-ethoxy-3,3-dimethylbutyl]hydrazine
PubChem CID105273639
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name[1-(2-chlorophenyl)-2-ethoxy-3,3-dimethylbutyl]hydrazine
SMILESCCOC(C(NN)c1ccccc1Cl)C(C)(C)C
InChIInChI=1S/C14H23ClN2O/c1-5-18-13(14(2,3)4)12(17-16)10-8-6-7-9-11(10)15/h6-9,12-13,17H,5,16H2,1-4H3
InChIKeyBTTAJBSXMQGLSK-UHFFFAOYSA-N
XLogP3.30
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 53.30
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-ethoxy-3,3-dimethyl-1-(2-methylphenyl)butyl]hydrazine
CID 105273631
[1-(3-chlorophenyl)-2-ethoxy-3,3-dimethylbutyl]hydrazine
CID 105273876
[2-ethoxy-1-(4-ethoxyphenyl)-3,3-dimethylbutyl]hydrazine
CID 105273710
[1-(2,4-dimethoxyphenyl)-2-ethoxy-3,3-dimethylbutyl]hydrazine
CID 105273908
[1-(2,3-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-yl]hydrazine
CID 107312791
[1-(2-chlorophenyl)-2-methoxy-3-methylbutyl]hydrazine
CID 105271941
1-chloro-2-(1-ethoxyethyl)benzene
CID 53420297
1-(2,6-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-amine
CID 116725191
diethyl 2-[(R)-(2-chlorophenyl)-[(2-methylpropan-2-yl)oxycarbonylamino]methyl]propanedioate
CID 134849780
1-(2-chlorophenyl)-2-ethoxy-3-methylbutan-1-amine
CID 116720791
2-ethoxy-N,3,3-trimethyl-1-(2-propoxyphenyl)butan-1-amine
CID 116725574
1-(2-chloro-5-fluorophenyl)-2-ethoxy-3,3-dimethylbutan-1-amine
CID 105395504

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)-2-ethoxy-3,3-dimethylbutyl]hydrazine?
The IUPAC name of [1-(2-chlorophenyl)-2-ethoxy-3,3-dimethylbutyl]hydrazine (CID 105273639) is [1-(2-chlorophenyl)-2-ethoxy-3,3-dimethylbutyl]hydrazine.
What is the SMILES notation for [1-(2-chlorophenyl)-2-ethoxy-3,3-dimethylbutyl]hydrazine?
The canonical SMILES for [1-(2-chlorophenyl)-2-ethoxy-3,3-dimethylbutyl]hydrazine is CCOC(C(NN)c1ccccc1Cl)C(C)(C)C.
What is the InChIKey of [1-(2-chlorophenyl)-2-ethoxy-3,3-dimethylbutyl]hydrazine?
The InChIKey is BTTAJBSXMQGLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O/c1-5-18-13(14(2,3)4)12(17-16)10-8-6-7-9-11(10)15/h6-9,12-13,17H,5,16H2,1-4H3.
What are the key properties of [1-(2-chlorophenyl)-2-ethoxy-3,3-dimethylbutyl]hydrazine?
[1-(2-chlorophenyl)-2-ethoxy-3,3-dimethylbutyl]hydrazine has a molecular weight of 270.80 g/mol, XLogP of 3.30, 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-ethoxy-3,3-dimethylbutyl]hydrazine is sourced from PubChem (CID 105273639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).