[1-(4-chloro-3-methoxyphenyl)-3-(oxan-2-yl)propyl]hydrazine

C15H23ClN2O2 — CID 105320716

IUPAC[1-(4-chloro-3-methoxyphenyl)-3-(oxan-2-yl)propyl]hydrazine
SMILESCOc1cc(C(CCC2CCCCO2)NN)ccc1Cl
InChIInChI=1S/C15H23ClN2O2/c1-19-15-10-11(5-7-13(15)16)14(18-17)8-6-12-4-2-3-9-20-12/h5,7,10,12,14,18H,2-4,6,8-9,17H2,1H3
InChIKeySRQIBYAELJMNQY-UHFFFAOYSA-N
MW298.81 g/mol
LogP3.20
Rot. Bonds6

About [1-(4-chloro-3-methoxyphenyl)-3-(oxan-2-yl)propyl]hydrazine

[1-(4-chloro-3-methoxyphenyl)-3-(oxan-2-yl)propyl]hydrazine (PubChem CID 105320716) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is [1-(4-chloro-3-methoxyphenyl)-3-(oxan-2-yl)propyl]hydrazine.

Molecular Properties

Compound Name[1-(4-chloro-3-methoxyphenyl)-3-(oxan-2-yl)propyl]hydrazine
PubChem CID105320716
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name[1-(4-chloro-3-methoxyphenyl)-3-(oxan-2-yl)propyl]hydrazine
SMILESCOc1cc(C(CCC2CCCCO2)NN)ccc1Cl
InChIInChI=1S/C15H23ClN2O2/c1-19-15-10-11(5-7-13(15)16)14(18-17)8-6-12-4-2-3-9-20-12/h5,7,10,12,14,18H,2-4,6,8-9,17H2,1H3
InChIKeySRQIBYAELJMNQY-UHFFFAOYSA-N
XLogP3.20
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-fluoro-3-methoxyphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314273
[1-(3-chloro-4,5-dimethoxyphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105204575
[1-(4-fluoro-3-methoxyphenyl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105314077
[1-(2-fluoro-3-methoxyphenyl)-3-(oxan-2-yl)propyl]hydrazine
CID 105329262
[1-(5-chloro-2-methoxyphenyl)-2-(oxan-2-yl)ethyl]hydrazine
CID 105267580
[1-(2,5-dichlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105302010
[1-(2-fluoro-4-methoxyphenyl)-3-(oxan-2-yl)propyl]hydrazine
CID 103397792
[4-chloro-1-(4-chloro-3-methoxyphenyl)butyl]hydrazine
CID 105235527
[1-(3-cyclopropyloxyphenyl)-3-(oxan-2-yl)propyl]hydrazine
CID 105341075
[1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314231
[1-(2-methoxyphenyl)-2-(oxan-2-yl)ethyl]hydrazine
CID 105267281
[1-(6-chloro-3-pyridinyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105253010

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-3-methoxyphenyl)-3-(oxan-2-yl)propyl]hydrazine?
The IUPAC name of [1-(4-chloro-3-methoxyphenyl)-3-(oxan-2-yl)propyl]hydrazine (CID 105320716) is [1-(4-chloro-3-methoxyphenyl)-3-(oxan-2-yl)propyl]hydrazine.
What is the SMILES notation for [1-(4-chloro-3-methoxyphenyl)-3-(oxan-2-yl)propyl]hydrazine?
The canonical SMILES for [1-(4-chloro-3-methoxyphenyl)-3-(oxan-2-yl)propyl]hydrazine is COc1cc(C(CCC2CCCCO2)NN)ccc1Cl.
What is the InChIKey of [1-(4-chloro-3-methoxyphenyl)-3-(oxan-2-yl)propyl]hydrazine?
The InChIKey is SRQIBYAELJMNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-19-15-10-11(5-7-13(15)16)14(18-17)8-6-12-4-2-3-9-20-12/h5,7,10,12,14,18H,2-4,6,8-9,17H2,1H3.
What are the key properties of [1-(4-chloro-3-methoxyphenyl)-3-(oxan-2-yl)propyl]hydrazine?
[1-(4-chloro-3-methoxyphenyl)-3-(oxan-2-yl)propyl]hydrazine has a molecular weight of 298.81 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-3-methoxyphenyl)-3-(oxan-2-yl)propyl]hydrazine is sourced from PubChem (CID 105320716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).