[1-(3-chloro-4,5-dimethoxyphenyl)-2,2-dimethylpropyl]hydrazine

C13H21ClN2O2 — CID 105204625

IUPAC[1-(3-chloro-4,5-dimethoxyphenyl)-2,2-dimethylpropyl]hydrazine
SMILESCOc1cc(C(NN)C(C)(C)C)cc(Cl)c1OC
InChIInChI=1S/C13H21ClN2O2/c1-13(2,3)12(16-15)8-6-9(14)11(18-5)10(7-8)17-4/h6-7,12,16H,15H2,1-5H3
InChIKeyMEHSLJNWQAKDLX-UHFFFAOYSA-N
MW272.78 g/mol
LogP2.91
Rot. Bonds4

About [1-(3-chloro-4,5-dimethoxyphenyl)-2,2-dimethylpropyl]hydrazine

[1-(3-chloro-4,5-dimethoxyphenyl)-2,2-dimethylpropyl]hydrazine (PubChem CID 105204625) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is [1-(3-chloro-4,5-dimethoxyphenyl)-2,2-dimethylpropyl]hydrazine.

Molecular Properties

Compound Name[1-(3-chloro-4,5-dimethoxyphenyl)-2,2-dimethylpropyl]hydrazine
PubChem CID105204625
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name[1-(3-chloro-4,5-dimethoxyphenyl)-2,2-dimethylpropyl]hydrazine
SMILESCOc1cc(C(NN)C(C)(C)C)cc(Cl)c1OC
InChIInChI=1S/C13H21ClN2O2/c1-13(2,3)12(16-15)8-6-9(14)11(18-5)10(7-8)17-4/h6-7,12,16H,15H2,1-5H3
InChIKeyMEHSLJNWQAKDLX-UHFFFAOYSA-N
XLogP2.91
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 52.91
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

[(3-chloro-4,5-dimethoxyphenyl)-(4-methylphenyl)methyl]hydrazine
CID 105204556
1-(3-chloro-4,5-dimethoxyphenyl)hexylhydrazine
CID 105204626
[1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropylethyl]hydrazine
CID 105204535
[(3-chloro-4,5-dimethoxyphenyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105204608
[1-(3-chloro-4,5-dimethoxyphenyl)-3-methylidenepentyl]hydrazine
CID 105204631
1-(3-chloro-4,5-dimethoxyphenyl)-4-methoxy-4-methylpentan-1-amine
CID 103035615
[(3-chloro-4,5-dimethoxyphenyl)-pyridin-3-ylmethyl]hydrazine
CID 105204624
1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 60956072
1-(3-chloro-4,5-dimethoxyphenyl)-4-methylpentan-1-amine
CID 62601776
[1-(3-chloro-4,5-dimethoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105204563
1-(3-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 65105134
[2-(3-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethyl]hydrazine
CID 105204619

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4,5-dimethoxyphenyl)-2,2-dimethylpropyl]hydrazine?
The IUPAC name of [1-(3-chloro-4,5-dimethoxyphenyl)-2,2-dimethylpropyl]hydrazine (CID 105204625) is [1-(3-chloro-4,5-dimethoxyphenyl)-2,2-dimethylpropyl]hydrazine.
What is the SMILES notation for [1-(3-chloro-4,5-dimethoxyphenyl)-2,2-dimethylpropyl]hydrazine?
The canonical SMILES for [1-(3-chloro-4,5-dimethoxyphenyl)-2,2-dimethylpropyl]hydrazine is COc1cc(C(NN)C(C)(C)C)cc(Cl)c1OC.
What is the InChIKey of [1-(3-chloro-4,5-dimethoxyphenyl)-2,2-dimethylpropyl]hydrazine?
The InChIKey is MEHSLJNWQAKDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2/c1-13(2,3)12(16-15)8-6-9(14)11(18-5)10(7-8)17-4/h6-7,12,16H,15H2,1-5H3.
What are the key properties of [1-(3-chloro-4,5-dimethoxyphenyl)-2,2-dimethylpropyl]hydrazine?
[1-(3-chloro-4,5-dimethoxyphenyl)-2,2-dimethylpropyl]hydrazine has a molecular weight of 272.78 g/mol, XLogP of 2.91, 4 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)-2,2-dimethylpropyl]hydrazine is sourced from PubChem (CID 105204625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).