1-(3-chloro-4,5-dimethoxyphenyl)hexylhydrazine

C14H23ClN2O2 — CID 105204626

IUPAC1-(3-chloro-4,5-dimethoxyphenyl)hexylhydrazine
SMILESCCCCCC(NN)c1cc(Cl)c(OC)c(OC)c1
InChIInChI=1S/C14H23ClN2O2/c1-4-5-6-7-12(17-16)10-8-11(15)14(19-3)13(9-10)18-2/h8-9,12,17H,4-7,16H2,1-3H3
InChIKeyLKYOSFOTALDWEE-UHFFFAOYSA-N
MW286.80 g/mol
LogP3.44
Rot. Bonds8

About 1-(3-chloro-4,5-dimethoxyphenyl)hexylhydrazine

1-(3-chloro-4,5-dimethoxyphenyl)hexylhydrazine (PubChem CID 105204626) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 1-(3-chloro-4,5-dimethoxyphenyl)hexylhydrazine.

Molecular Properties

Compound Name1-(3-chloro-4,5-dimethoxyphenyl)hexylhydrazine
PubChem CID105204626
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name1-(3-chloro-4,5-dimethoxyphenyl)hexylhydrazine
SMILESCCCCCC(NN)c1cc(Cl)c(OC)c(OC)c1
InChIInChI=1S/C14H23ClN2O2/c1-4-5-6-7-12(17-16)10-8-11(15)14(19-3)13(9-10)18-2/h8-9,12,17H,4-7,16H2,1-3H3
InChIKeyLKYOSFOTALDWEE-UHFFFAOYSA-N
XLogP3.44
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylhexan-1-amine
CID 62601956
1-(3-chloro-4,5-dimethoxyphenyl)-N-propylhexan-1-amine
CID 63417042
[1-(3-chloro-4,5-dimethoxyphenyl)-3-methylidenepentyl]hydrazine
CID 105204631
[1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropylethyl]hydrazine
CID 105204535
[5-methyl-1-(3,4,5-trimethoxyphenyl)hexyl]hydrazine
CID 105331209
1-(3-methoxy-4-methylphenyl)nonylhydrazine
CID 105294336
1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 60956072
[1-(3-chloro-4,5-dimethoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105204563
[1-(3-chloro-4,5-dimethoxyphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105204575
1-(4-fluoro-3-methoxyphenyl)octylhydrazine
CID 105293533
1-(3-chloro-4,5-dimethoxyphenyl)-3-ethyl-N-methylpentan-1-amine
CID 82923305
[1-(3-chloro-4,5-dimethoxyphenyl)-2,2-dimethylpropyl]hydrazine
CID 105204625

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4,5-dimethoxyphenyl)hexylhydrazine?
The IUPAC name of 1-(3-chloro-4,5-dimethoxyphenyl)hexylhydrazine (CID 105204626) is 1-(3-chloro-4,5-dimethoxyphenyl)hexylhydrazine.
What is the SMILES notation for 1-(3-chloro-4,5-dimethoxyphenyl)hexylhydrazine?
The canonical SMILES for 1-(3-chloro-4,5-dimethoxyphenyl)hexylhydrazine is CCCCCC(NN)c1cc(Cl)c(OC)c(OC)c1.
What is the InChIKey of 1-(3-chloro-4,5-dimethoxyphenyl)hexylhydrazine?
The InChIKey is LKYOSFOTALDWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O2/c1-4-5-6-7-12(17-16)10-8-11(15)14(19-3)13(9-10)18-2/h8-9,12,17H,4-7,16H2,1-3H3.
What are the key properties of 1-(3-chloro-4,5-dimethoxyphenyl)hexylhydrazine?
1-(3-chloro-4,5-dimethoxyphenyl)hexylhydrazine has a molecular weight of 286.80 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4,5-dimethoxyphenyl)hexylhydrazine is sourced from PubChem (CID 105204626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).