[1-(3-chlorophenyl)-3-methoxybutan-2-yl]hydrazine

C11H17ClN2O — CID 105247122

IUPAC[1-(3-chlorophenyl)-3-methoxybutan-2-yl]hydrazine
SMILESCOC(C)C(Cc1cccc(Cl)c1)NN
InChIInChI=1S/C11H17ClN2O/c1-8(15-2)11(14-13)7-9-4-3-5-10(12)6-9/h3-6,8,11,14H,7,13H2,1-2H3
InChIKeyADCBXFWMRNKJJI-UHFFFAOYSA-N
MW228.72 g/mol
LogP1.75
Rot. Bonds5

About [1-(3-chlorophenyl)-3-methoxybutan-2-yl]hydrazine

[1-(3-chlorophenyl)-3-methoxybutan-2-yl]hydrazine (PubChem CID 105247122) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-3-methoxybutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-3-methoxybutan-2-yl]hydrazine
PubChem CID105247122
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name[1-(3-chlorophenyl)-3-methoxybutan-2-yl]hydrazine
SMILESCOC(C)C(Cc1cccc(Cl)c1)NN
InChIInChI=1S/C11H17ClN2O/c1-8(15-2)11(14-13)7-9-4-3-5-10(12)6-9/h3-6,8,11,14H,7,13H2,1-2H3
InChIKeyADCBXFWMRNKJJI-UHFFFAOYSA-N
XLogP1.75
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 51.75
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-(3-chlorophenyl)-3-ethylpentan-2-yl]hydrazine
CID 105194822
[1-(2,5-dichlorophenyl)-3-methoxybutan-2-yl]hydrazine
CID 105247088
[1-(3-chlorophenyl)-3-ethoxypentan-2-yl]hydrazine
CID 105271215
[1-(5-chloro-2-methoxyphenyl)-3-methoxybutan-2-yl]hydrazine
CID 105246987
1-(3-chlorophenyl)-N,3-dimethylbutan-2-amine
CID 60819864
[3-(3-chlorophenyl)-1-ethoxy-1-phenylpropan-2-yl]hydrazine
CID 105279369
1-(3-chlorophenyl)-3-ethoxy-N-methylbutan-2-amine
CID 64533188
[2-(3-chlorophenyl)-1-(2,6-dimethoxyphenyl)ethyl]hydrazine
CID 105195002
1-chloro-3-(3-chloro-2-methylpropyl)benzene
CID 64665246
1-(3-chlorophenyl)-N-(2,2-dimethoxyethyl)propan-2-amine
CID 63697757
methyl 2-bromo-3-(3-chlorophenyl)propanoate
CID 43826387
[1,1-dimethoxy-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105245974

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-3-methoxybutan-2-yl]hydrazine?
The IUPAC name of [1-(3-chlorophenyl)-3-methoxybutan-2-yl]hydrazine (CID 105247122) is [1-(3-chlorophenyl)-3-methoxybutan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-chlorophenyl)-3-methoxybutan-2-yl]hydrazine?
The canonical SMILES for [1-(3-chlorophenyl)-3-methoxybutan-2-yl]hydrazine is COC(C)C(Cc1cccc(Cl)c1)NN.
What is the InChIKey of [1-(3-chlorophenyl)-3-methoxybutan-2-yl]hydrazine?
The InChIKey is ADCBXFWMRNKJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-8(15-2)11(14-13)7-9-4-3-5-10(12)6-9/h3-6,8,11,14H,7,13H2,1-2H3.
What are the key properties of [1-(3-chlorophenyl)-3-methoxybutan-2-yl]hydrazine?
[1-(3-chlorophenyl)-3-methoxybutan-2-yl]hydrazine has a molecular weight of 228.72 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-3-methoxybutan-2-yl]hydrazine is sourced from PubChem (CID 105247122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).