[1-(5-bromo-2-methoxyphenyl)-3-methoxypentan-2-yl]hydrazine

C13H21BrN2O2 — CID 105270725

IUPAC[1-(5-bromo-2-methoxyphenyl)-3-methoxypentan-2-yl]hydrazine
SMILESCCC(OC)C(Cc1cc(Br)ccc1OC)NN
InChIInChI=1S/C13H21BrN2O2/c1-4-12(17-2)11(16-15)8-9-7-10(14)5-6-13(9)18-3/h5-7,11-12,16H,4,8,15H2,1-3H3
InChIKeyURCWNLBGTIWUQL-UHFFFAOYSA-N
MW317.23 g/mol
LogP2.26
Rot. Bonds7

About [1-(5-bromo-2-methoxyphenyl)-3-methoxypentan-2-yl]hydrazine

[1-(5-bromo-2-methoxyphenyl)-3-methoxypentan-2-yl]hydrazine (PubChem CID 105270725) has the molecular formula C13H21BrN2O2 and a molecular weight of 317.23 g/mol. Its IUPAC name is [1-(5-bromo-2-methoxyphenyl)-3-methoxypentan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromo-2-methoxyphenyl)-3-methoxypentan-2-yl]hydrazine
PubChem CID105270725
Molecular FormulaC13H21BrN2O2
Molecular Weight317.23 g/mol
Exact Mass316.08
IUPAC Name[1-(5-bromo-2-methoxyphenyl)-3-methoxypentan-2-yl]hydrazine
SMILESCCC(OC)C(Cc1cc(Br)ccc1OC)NN
InChIInChI=1S/C13H21BrN2O2/c1-4-12(17-2)11(16-15)8-9-7-10(14)5-6-13(9)18-3/h5-7,11-12,16H,4,8,15H2,1-3H3
InChIKeyURCWNLBGTIWUQL-UHFFFAOYSA-N
XLogP2.26
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 52.26
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-(5-bromo-2-methoxyphenyl)-3-methoxy-N-propylhexan-2-amine
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[1-(5-bromo-2-methoxyphenyl)-3-ethoxypropan-2-yl]hydrazine
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[1-(5-bromo-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine
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[1-(2-bromo-4-fluorophenyl)-3-methoxypentan-2-yl]hydrazine
CID 105270647
2-[(5-bromo-2-methoxyphenyl)methyl]butan-1-amine
CID 62505917
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
1-(5-bromo-2-methoxyphenyl)pent-4-en-2-ylhydrazine
CID 105269705
1-(5-bromo-2-methoxyphenyl)-N-ethyl-3,4-dimethylpentan-2-amine
CID 115817634
[1-(5-bromo-2-pyridinyl)-3-methoxypentan-2-yl]hydrazine
CID 105270656
[2-(5-bromo-2-methoxyphenyl)-1-cyclobutylethyl]hydrazine
CID 105224453
[2-(5-bromo-2-methoxyphenyl)-1-(3-bromophenyl)ethyl]hydrazine
CID 105198026

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-2-methoxyphenyl)-3-methoxypentan-2-yl]hydrazine?
The IUPAC name of [1-(5-bromo-2-methoxyphenyl)-3-methoxypentan-2-yl]hydrazine (CID 105270725) is [1-(5-bromo-2-methoxyphenyl)-3-methoxypentan-2-yl]hydrazine.
What is the SMILES notation for [1-(5-bromo-2-methoxyphenyl)-3-methoxypentan-2-yl]hydrazine?
The canonical SMILES for [1-(5-bromo-2-methoxyphenyl)-3-methoxypentan-2-yl]hydrazine is CCC(OC)C(Cc1cc(Br)ccc1OC)NN.
What is the InChIKey of [1-(5-bromo-2-methoxyphenyl)-3-methoxypentan-2-yl]hydrazine?
The InChIKey is URCWNLBGTIWUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O2/c1-4-12(17-2)11(16-15)8-9-7-10(14)5-6-13(9)18-3/h5-7,11-12,16H,4,8,15H2,1-3H3.
What are the key properties of [1-(5-bromo-2-methoxyphenyl)-3-methoxypentan-2-yl]hydrazine?
[1-(5-bromo-2-methoxyphenyl)-3-methoxypentan-2-yl]hydrazine has a molecular weight of 317.23 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-2-methoxyphenyl)-3-methoxypentan-2-yl]hydrazine is sourced from PubChem (CID 105270725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).