[1-(2,3-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-yl]hydrazine

C15H24Cl2N2O — CID 107312791

IUPAC[1-(2,3-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-yl]hydrazine
SMILESCCOC(C(Cc1cccc(Cl)c1Cl)NN)C(C)(C)C
InChIInChI=1S/C15H24Cl2N2O/c1-5-20-14(15(2,3)4)12(19-18)9-10-7-6-8-11(16)13(10)17/h6-8,12,14,19H,5,9,18H2,1-4H3
InChIKeyBUCCPEMNBGRUCD-UHFFFAOYSA-N
MW319.28 g/mol
LogP3.82
Rot. Bonds6

About [1-(2,3-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-yl]hydrazine

[1-(2,3-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-yl]hydrazine (PubChem CID 107312791) has the molecular formula C15H24Cl2N2O and a molecular weight of 319.28 g/mol. Its IUPAC name is [1-(2,3-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2,3-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-yl]hydrazine
PubChem CID107312791
Molecular FormulaC15H24Cl2N2O
Molecular Weight319.28 g/mol
Exact Mass318.13
IUPAC Name[1-(2,3-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-yl]hydrazine
SMILESCCOC(C(Cc1cccc(Cl)c1Cl)NN)C(C)(C)C
InChIInChI=1S/C15H24Cl2N2O/c1-5-20-14(15(2,3)4)12(19-18)9-10-7-6-8-11(16)13(10)17/h6-8,12,14,19H,5,9,18H2,1-4H3
InChIKeyBUCCPEMNBGRUCD-UHFFFAOYSA-N
XLogP3.82
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 53.82
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-(2,3-dichlorophenyl)-3-ethoxybutan-2-yl]hydrazine
CID 107312651
[3-ethoxy-1-(2-fluorophenyl)-4,4-dimethylpentan-2-yl]hydrazine
CID 105273741
[1-(2-chlorophenyl)-3-ethoxypentan-2-yl]hydrazine
CID 105271076
[1-(2-chlorophenyl)-2-ethoxy-3,3-dimethylbutyl]hydrazine
CID 105273639
[1-(2,3-dichlorophenyl)-4,4-dimethylpentan-2-yl]hydrazine
CID 107312642
1-(2,6-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-amine
CID 116725191
1-(3-chloro-2-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol
CID 102857480
[1-(3-chlorophenyl)-2-ethoxy-3,3-dimethylbutyl]hydrazine
CID 105273876
[3-(2,6-dichlorophenyl)-1,1-diethoxypropan-2-yl]hydrazine
CID 105246265
1-(2,3-dichlorophenyl)-3-ethoxyhexan-2-amine
CID 107309069
1-(2-bromophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine
CID 116725632
1-(2-chloro-4-methylphenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine
CID 106868825

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-yl]hydrazine?
The IUPAC name of [1-(2,3-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-yl]hydrazine (CID 107312791) is [1-(2,3-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-yl]hydrazine.
What is the SMILES notation for [1-(2,3-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-yl]hydrazine?
The canonical SMILES for [1-(2,3-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-yl]hydrazine is CCOC(C(Cc1cccc(Cl)c1Cl)NN)C(C)(C)C.
What is the InChIKey of [1-(2,3-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-yl]hydrazine?
The InChIKey is BUCCPEMNBGRUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24Cl2N2O/c1-5-20-14(15(2,3)4)12(19-18)9-10-7-6-8-11(16)13(10)17/h6-8,12,14,19H,5,9,18H2,1-4H3.
What are the key properties of [1-(2,3-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-yl]hydrazine?
[1-(2,3-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-yl]hydrazine has a molecular weight of 319.28 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-yl]hydrazine is sourced from PubChem (CID 107312791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).