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

C16H27BrN2O2 — CID 105275091

IUPAC[1-(2-bromo-5-methoxyphenyl)-3-ethoxy-3-ethylpentan-2-yl]hydrazine
SMILESCCOC(CC)(CC)C(Cc1cc(OC)ccc1Br)NN
InChIInChI=1S/C16H27BrN2O2/c1-5-16(6-2,21-7-3)15(19-18)11-12-10-13(20-4)8-9-14(12)17/h8-10,15,19H,5-7,11,18H2,1-4H3
InChIKeyYSGQQVPYELOAOP-UHFFFAOYSA-N
MW359.31 g/mol
LogP3.43
Rot. Bonds9

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

[1-(2-bromo-5-methoxyphenyl)-3-ethoxy-3-ethylpentan-2-yl]hydrazine (PubChem CID 105275091) has the molecular formula C16H27BrN2O2 and a molecular weight of 359.31 g/mol. Its IUPAC name is [1-(2-bromo-5-methoxyphenyl)-3-ethoxy-3-ethylpentan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromo-5-methoxyphenyl)-3-ethoxy-3-ethylpentan-2-yl]hydrazine
PubChem CID105275091
Molecular FormulaC16H27BrN2O2
Molecular Weight359.31 g/mol
Exact Mass358.13
IUPAC Name[1-(2-bromo-5-methoxyphenyl)-3-ethoxy-3-ethylpentan-2-yl]hydrazine
SMILESCCOC(CC)(CC)C(Cc1cc(OC)ccc1Br)NN
InChIInChI=1S/C16H27BrN2O2/c1-5-16(6-2,21-7-3)15(19-18)11-12-10-13(20-4)8-9-14(12)17/h8-10,15,19H,5-7,11,18H2,1-4H3
InChIKeyYSGQQVPYELOAOP-UHFFFAOYSA-N
XLogP3.43
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 53.43
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-(2-bromo-5-methoxyphenyl)-3-ethyl-3-methoxypentan-2-ol
CID 116752716
1-(2-bromo-5-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine
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[1-(2-bromo-5-methoxyphenyl)-4-ethoxybutan-2-yl]hydrazine
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[1-(2-bromo-5-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
CID 103217513
3-(2-bromo-5-methoxyphenyl)-1,1-diethoxypropan-2-amine
CID 79495380
[2-(2-bromo-5-methoxyphenyl)-1-cyclobutylethyl]hydrazine
CID 105224433
[1-(3-bromothiophen-2-yl)-3-ethoxy-3-ethylpentan-2-yl]hydrazine
CID 105275170
1-(2-bromo-5-methoxyphenyl)-N-ethylpropan-2-amine
CID 65325217
1-(2-bromo-5-methoxyphenyl)pentan-2-amine
CID 65325502
[2-(2-bromo-5-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine
CID 105230474
[2-(2-bromo-5-methoxyphenyl)-1-(5-ethylfuran-2-yl)ethyl]hydrazine
CID 105309525
1-bromo-2-[2-(chloromethyl)-3,3-dimethylbutyl]-4-methoxybenzene
CID 83139272

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-5-methoxyphenyl)-3-ethoxy-3-ethylpentan-2-yl]hydrazine?
The IUPAC name of [1-(2-bromo-5-methoxyphenyl)-3-ethoxy-3-ethylpentan-2-yl]hydrazine (CID 105275091) is [1-(2-bromo-5-methoxyphenyl)-3-ethoxy-3-ethylpentan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-bromo-5-methoxyphenyl)-3-ethoxy-3-ethylpentan-2-yl]hydrazine?
The canonical SMILES for [1-(2-bromo-5-methoxyphenyl)-3-ethoxy-3-ethylpentan-2-yl]hydrazine is CCOC(CC)(CC)C(Cc1cc(OC)ccc1Br)NN.
What is the InChIKey of [1-(2-bromo-5-methoxyphenyl)-3-ethoxy-3-ethylpentan-2-yl]hydrazine?
The InChIKey is YSGQQVPYELOAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN2O2/c1-5-16(6-2,21-7-3)15(19-18)11-12-10-13(20-4)8-9-14(12)17/h8-10,15,19H,5-7,11,18H2,1-4H3.
What are the key properties of [1-(2-bromo-5-methoxyphenyl)-3-ethoxy-3-ethylpentan-2-yl]hydrazine?
[1-(2-bromo-5-methoxyphenyl)-3-ethoxy-3-ethylpentan-2-yl]hydrazine has a molecular weight of 359.31 g/mol, XLogP of 3.43, 9 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)-3-ethoxy-3-ethylpentan-2-yl]hydrazine is sourced from PubChem (CID 105275091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).