[1-(2-bromo-5-methoxyphenyl)-4-ethoxybutan-2-yl]hydrazine

C13H21BrN2O2 — CID 105309540

IUPAC[1-(2-bromo-5-methoxyphenyl)-4-ethoxybutan-2-yl]hydrazine
SMILESCCOCCC(Cc1cc(OC)ccc1Br)NN
InChIInChI=1S/C13H21BrN2O2/c1-3-18-7-6-11(16-15)8-10-9-12(17-2)4-5-13(10)14/h4-5,9,11,16H,3,6-8,15H2,1-2H3
InChIKeyOKBPKOSLEWAUPA-UHFFFAOYSA-N
MW317.23 g/mol
LogP2.26
Rot. Bonds8

About [1-(2-bromo-5-methoxyphenyl)-4-ethoxybutan-2-yl]hydrazine

[1-(2-bromo-5-methoxyphenyl)-4-ethoxybutan-2-yl]hydrazine (PubChem CID 105309540) has the molecular formula C13H21BrN2O2 and a molecular weight of 317.23 g/mol. Its IUPAC name is [1-(2-bromo-5-methoxyphenyl)-4-ethoxybutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromo-5-methoxyphenyl)-4-ethoxybutan-2-yl]hydrazine
PubChem CID105309540
Molecular FormulaC13H21BrN2O2
Molecular Weight317.23 g/mol
Exact Mass316.08
IUPAC Name[1-(2-bromo-5-methoxyphenyl)-4-ethoxybutan-2-yl]hydrazine
SMILESCCOCCC(Cc1cc(OC)ccc1Br)NN
InChIInChI=1S/C13H21BrN2O2/c1-3-18-7-6-11(16-15)8-10-9-12(17-2)4-5-13(10)14/h4-5,9,11,16H,3,6-8,15H2,1-2H3
InChIKeyOKBPKOSLEWAUPA-UHFFFAOYSA-N
XLogP2.26
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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': '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-(2-bromophenyl)-4-ethoxybutan-2-yl]hydrazine
CID 105283966
[4-ethoxy-1-(3-methoxyphenyl)butan-2-yl]hydrazine
CID 105295390
1-(2-bromo-5-methoxyphenyl)-N-ethylpentan-2-amine
CID 65325458
[1-(2-bromo-4-fluorophenyl)-4-ethoxybutan-2-yl]hydrazine
CID 105296727
[1-(2-bromo-5-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
CID 103217513
[1-(2-bromo-5-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine
CID 105226806
[1-(2-bromo-5-methoxyphenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine
CID 105227494
3-(2-bromo-5-methoxyphenyl)-1,1-diethoxypropan-2-amine
CID 79495380
[1-(3-bromothiophen-2-yl)-4-ethoxybutan-2-yl]hydrazine
CID 105299615
[2-(2-bromo-5-methoxyphenyl)-1-cyclobutylethyl]hydrazine
CID 105224433
1-(2-bromo-5-methoxyphenyl)-N-propan-2-ylhexan-2-amine
CID 79412793
[1-(2-bromo-5-methoxyphenyl)-3-ethoxy-3-ethylpentan-2-yl]hydrazine
CID 105275091

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-5-methoxyphenyl)-4-ethoxybutan-2-yl]hydrazine?
The IUPAC name of [1-(2-bromo-5-methoxyphenyl)-4-ethoxybutan-2-yl]hydrazine (CID 105309540) is [1-(2-bromo-5-methoxyphenyl)-4-ethoxybutan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-bromo-5-methoxyphenyl)-4-ethoxybutan-2-yl]hydrazine?
The canonical SMILES for [1-(2-bromo-5-methoxyphenyl)-4-ethoxybutan-2-yl]hydrazine is CCOCCC(Cc1cc(OC)ccc1Br)NN.
What is the InChIKey of [1-(2-bromo-5-methoxyphenyl)-4-ethoxybutan-2-yl]hydrazine?
The InChIKey is OKBPKOSLEWAUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O2/c1-3-18-7-6-11(16-15)8-10-9-12(17-2)4-5-13(10)14/h4-5,9,11,16H,3,6-8,15H2,1-2H3.
What are the key properties of [1-(2-bromo-5-methoxyphenyl)-4-ethoxybutan-2-yl]hydrazine?
[1-(2-bromo-5-methoxyphenyl)-4-ethoxybutan-2-yl]hydrazine has a molecular weight of 317.23 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-5-methoxyphenyl)-4-ethoxybutan-2-yl]hydrazine is sourced from PubChem (CID 105309540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).