[1-(3-chloro-4,5-dimethoxyphenyl)-3-(oxolan-2-yl)propyl]hydrazine

C15H23ClN2O3 — CID 105204575

IUPAC[1-(3-chloro-4,5-dimethoxyphenyl)-3-(oxolan-2-yl)propyl]hydrazine
SMILESCOc1cc(C(CCC2CCCO2)NN)cc(Cl)c1OC
InChIInChI=1S/C15H23ClN2O3/c1-19-14-9-10(8-12(16)15(14)20-2)13(18-17)6-5-11-4-3-7-21-11/h8-9,11,13,18H,3-7,17H2,1-2H3
InChIKeyLRBKEKAWOQZYOR-UHFFFAOYSA-N
MW314.81 g/mol
LogP2.82
Rot. Bonds7

About [1-(3-chloro-4,5-dimethoxyphenyl)-3-(oxolan-2-yl)propyl]hydrazine

[1-(3-chloro-4,5-dimethoxyphenyl)-3-(oxolan-2-yl)propyl]hydrazine (PubChem CID 105204575) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is [1-(3-chloro-4,5-dimethoxyphenyl)-3-(oxolan-2-yl)propyl]hydrazine.

Molecular Properties

Compound Name[1-(3-chloro-4,5-dimethoxyphenyl)-3-(oxolan-2-yl)propyl]hydrazine
PubChem CID105204575
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name[1-(3-chloro-4,5-dimethoxyphenyl)-3-(oxolan-2-yl)propyl]hydrazine
SMILESCOc1cc(C(CCC2CCCO2)NN)cc(Cl)c1OC
InChIInChI=1S/C15H23ClN2O3/c1-19-14-9-10(8-12(16)15(14)20-2)13(18-17)6-5-11-4-3-7-21-11/h8-9,11,13,18H,3-7,17H2,1-2H3
InChIKeyLRBKEKAWOQZYOR-UHFFFAOYSA-N
XLogP2.82
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(4-chloro-3-methoxyphenyl)-3-(oxan-2-yl)propyl]hydrazine
CID 105320716
[1-(4-fluoro-3-methoxyphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314273
[1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropylethyl]hydrazine
CID 105204535
1-(3-chloro-4,5-dimethoxyphenyl)hexylhydrazine
CID 105204626
[1-(4-fluoro-3-methoxyphenyl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105314077
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7458136
[1-(2,5-dichlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105302010
[1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314231
[1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314404
[1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105256870
[1-(6-methoxypyrimidin-4-yl)-3-(oxolan-2-yl)propyl]hydrazine
CID 102953184
[1-(6-chloro-3-pyridinyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105253010

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4,5-dimethoxyphenyl)-3-(oxolan-2-yl)propyl]hydrazine?
The IUPAC name of [1-(3-chloro-4,5-dimethoxyphenyl)-3-(oxolan-2-yl)propyl]hydrazine (CID 105204575) is [1-(3-chloro-4,5-dimethoxyphenyl)-3-(oxolan-2-yl)propyl]hydrazine.
What is the SMILES notation for [1-(3-chloro-4,5-dimethoxyphenyl)-3-(oxolan-2-yl)propyl]hydrazine?
The canonical SMILES for [1-(3-chloro-4,5-dimethoxyphenyl)-3-(oxolan-2-yl)propyl]hydrazine is COc1cc(C(CCC2CCCO2)NN)cc(Cl)c1OC.
What is the InChIKey of [1-(3-chloro-4,5-dimethoxyphenyl)-3-(oxolan-2-yl)propyl]hydrazine?
The InChIKey is LRBKEKAWOQZYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3/c1-19-14-9-10(8-12(16)15(14)20-2)13(18-17)6-5-11-4-3-7-21-11/h8-9,11,13,18H,3-7,17H2,1-2H3.
What are the key properties of [1-(3-chloro-4,5-dimethoxyphenyl)-3-(oxolan-2-yl)propyl]hydrazine?
[1-(3-chloro-4,5-dimethoxyphenyl)-3-(oxolan-2-yl)propyl]hydrazine has a molecular weight of 314.81 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4,5-dimethoxyphenyl)-3-(oxolan-2-yl)propyl]hydrazine is sourced from PubChem (CID 105204575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).