[1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine

C13H18Cl2N2O — CID 105314231

IUPAC[1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
SMILESNNC(CCC1CCCO1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N2O/c14-9-3-5-11(12(15)8-9)13(17-16)6-4-10-2-1-7-18-10/h3,5,8,10,13,17H,1-2,4,6-7,16H2
InChIKeyTWDXKYVTHQGJCO-UHFFFAOYSA-N
MW289.21 g/mol
LogP3.46
Rot. Bonds5

About [1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine

[1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine (PubChem CID 105314231) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is [1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine.

Molecular Properties

Compound Name[1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
PubChem CID105314231
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name[1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
SMILESNNC(CCC1CCCO1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N2O/c14-9-3-5-11(12(15)8-9)13(17-16)6-4-10-2-1-7-18-10/h3,5,8,10,13,17H,1-2,4,6-7,16H2
InChIKeyTWDXKYVTHQGJCO-UHFFFAOYSA-N
XLogP3.46
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 53.46
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-(2,5-dichlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105302010
[1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314404
2-[3-chloro-3-(2,4-dichlorophenyl)propyl]oxane
CID 63951587
1-(2,4-dichlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine
CID 63952139
[1-(2,5-difluorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105219360
[1-(2,4-dichlorophenyl)-4-(oxolan-2-yl)butan-2-yl]hydrazine
CID 105200125
[1-(2-fluoro-4-methylphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314262
1-(4-chloro-2-fluorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65164610
1-(4-chloro-2-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65167483
[1-(3-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314342
[1-(3-chloro-4-pyridinyl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105314132
[1-(4-fluoro-3-methoxyphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314273

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine?
The IUPAC name of [1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine (CID 105314231) is [1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine.
What is the SMILES notation for [1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine?
The canonical SMILES for [1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine is NNC(CCC1CCCO1)c1ccc(Cl)cc1Cl.
What is the InChIKey of [1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine?
The InChIKey is TWDXKYVTHQGJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c14-9-3-5-11(12(15)8-9)13(17-16)6-4-10-2-1-7-18-10/h3,5,8,10,13,17H,1-2,4,6-7,16H2.
What are the key properties of [1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine?
[1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine has a molecular weight of 289.21 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine is sourced from PubChem (CID 105314231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).