[1-(2-bromophenyl)-4-ethoxybutan-2-yl]hydrazine

C12H19BrN2O — CID 105283966

IUPAC[1-(2-bromophenyl)-4-ethoxybutan-2-yl]hydrazine
SMILESCCOCCC(Cc1ccccc1Br)NN
InChIInChI=1S/C12H19BrN2O/c1-2-16-8-7-11(15-14)9-10-5-3-4-6-12(10)13/h3-6,11,15H,2,7-9,14H2,1H3
InChIKeyNJILAVUZHKZMIG-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.25
Rot. Bonds7

About [1-(2-bromophenyl)-4-ethoxybutan-2-yl]hydrazine

[1-(2-bromophenyl)-4-ethoxybutan-2-yl]hydrazine (PubChem CID 105283966) has the molecular formula C12H19BrN2O and a molecular weight of 287.20 g/mol. Its IUPAC name is [1-(2-bromophenyl)-4-ethoxybutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromophenyl)-4-ethoxybutan-2-yl]hydrazine
PubChem CID105283966
Molecular FormulaC12H19BrN2O
Molecular Weight287.20 g/mol
Exact Mass286.07
IUPAC Name[1-(2-bromophenyl)-4-ethoxybutan-2-yl]hydrazine
SMILESCCOCCC(Cc1ccccc1Br)NN
InChIInChI=1S/C12H19BrN2O/c1-2-16-8-7-11(15-14)9-10-5-3-4-6-12(10)13/h3-6,11,15H,2,7-9,14H2,1H3
InChIKeyNJILAVUZHKZMIG-UHFFFAOYSA-N
XLogP2.25
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-bromo-4-fluorophenyl)-4-ethoxybutan-2-yl]hydrazine
CID 105296727
[1-(2-bromo-5-methoxyphenyl)-4-ethoxybutan-2-yl]hydrazine
CID 105309540
[1-(3-bromothiophen-2-yl)-4-ethoxybutan-2-yl]hydrazine
CID 105299615
1-(2-bromophenyl)-5-ethoxy-N-methylpentan-2-amine
CID 105087467
[1-(2-bromophenyl)-3-phenylpropan-2-yl]hydrazine
CID 105195397
[1-(1-benzothiophen-3-yl)-4-ethoxybutan-2-yl]hydrazine
CID 105291750
[1-(2-bromophenyl)-4-(4-methoxyphenyl)butan-2-yl]hydrazine
CID 105214858
1-(2-bromophenyl)hex-5-yn-2-ylhydrazine
CID 105214924
[1-(2-bromophenyl)-5-phenylpentan-2-yl]hydrazine
CID 105214828
[1-(2-bromophenyl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225904
1-(2-bromophenyl)-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine
CID 103149935
[1-(2-bromophenyl)-3-cyclobutylpropan-2-yl]hydrazine
CID 105214950

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromophenyl)-4-ethoxybutan-2-yl]hydrazine?
The IUPAC name of [1-(2-bromophenyl)-4-ethoxybutan-2-yl]hydrazine (CID 105283966) is [1-(2-bromophenyl)-4-ethoxybutan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-bromophenyl)-4-ethoxybutan-2-yl]hydrazine?
The canonical SMILES for [1-(2-bromophenyl)-4-ethoxybutan-2-yl]hydrazine is CCOCCC(Cc1ccccc1Br)NN.
What is the InChIKey of [1-(2-bromophenyl)-4-ethoxybutan-2-yl]hydrazine?
The InChIKey is NJILAVUZHKZMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O/c1-2-16-8-7-11(15-14)9-10-5-3-4-6-12(10)13/h3-6,11,15H,2,7-9,14H2,1H3.
What are the key properties of [1-(2-bromophenyl)-4-ethoxybutan-2-yl]hydrazine?
[1-(2-bromophenyl)-4-ethoxybutan-2-yl]hydrazine has a molecular weight of 287.20 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromophenyl)-4-ethoxybutan-2-yl]hydrazine is sourced from PubChem (CID 105283966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).