[1-(2-bromo-4-chlorophenyl)-2-(oxan-4-yl)ethyl]hydrazine

C13H18BrClN2O — CID 107996948

IUPAC[1-(2-bromo-4-chlorophenyl)-2-(oxan-4-yl)ethyl]hydrazine
SMILESNNC(CC1CCOCC1)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H18BrClN2O/c14-12-8-10(15)1-2-11(12)13(17-16)7-9-3-5-18-6-4-9/h1-2,8-9,13,17H,3-7,16H2
InChIKeyODKXNZATRMTDCA-UHFFFAOYSA-N
MW333.66 g/mol
LogP3.42
Rot. Bonds4

About [1-(2-bromo-4-chlorophenyl)-2-(oxan-4-yl)ethyl]hydrazine

[1-(2-bromo-4-chlorophenyl)-2-(oxan-4-yl)ethyl]hydrazine (PubChem CID 107996948) has the molecular formula C13H18BrClN2O and a molecular weight of 333.66 g/mol. Its IUPAC name is [1-(2-bromo-4-chlorophenyl)-2-(oxan-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromo-4-chlorophenyl)-2-(oxan-4-yl)ethyl]hydrazine
PubChem CID107996948
Molecular FormulaC13H18BrClN2O
Molecular Weight333.66 g/mol
Exact Mass332.03
IUPAC Name[1-(2-bromo-4-chlorophenyl)-2-(oxan-4-yl)ethyl]hydrazine
SMILESNNC(CC1CCOCC1)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H18BrClN2O/c14-12-8-10(15)1-2-11(12)13(17-16)7-9-3-5-18-6-4-9/h1-2,8-9,13,17H,3-7,16H2
InChIKeyODKXNZATRMTDCA-UHFFFAOYSA-N
XLogP3.42
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.66
LogP ≤ 53.42
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-(2-bromo-4-chlorophenyl)-2-cyclobutylethyl]hydrazine
CID 107997064
(S)-(2-bromo-4-chlorophenyl)-(oxan-4-yl)methanamine
CID 131257336
[2-cyclobutyl-1-(2,4-dichlorophenyl)ethyl]hydrazine
CID 105309988
[1-(2,5-dichlorothiophen-3-yl)-2-(oxan-4-yl)ethyl]hydrazine
CID 107970203
[1-(2-bromo-4-fluorophenyl)-2-cyclobutylethyl]hydrazine
CID 105310051
[1-(2-bromo-4-methylphenyl)-2-cyclopentylethyl]hydrazine
CID 105299035
[2-cyclopentyl-1-(2,5-dichlorophenyl)ethyl]hydrazine
CID 105299043
[1-(5-chloro-2-fluorophenyl)-2-cyclopentylethyl]hydrazine
CID 105280031
[1-(5-chloro-2-methoxyphenyl)-2-(oxolan-3-yl)ethyl]hydrazine
CID 105266240
[1-(2-bromo-4-fluorophenyl)-2-cyclohexylethyl]hydrazine
CID 105296167
[1-(2-chloro-3-methylphenyl)-2-(oxan-4-yl)ethyl]hydrazine
CID 105298897
1-(2-bromo-4-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115846745

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-4-chlorophenyl)-2-(oxan-4-yl)ethyl]hydrazine?
The IUPAC name of [1-(2-bromo-4-chlorophenyl)-2-(oxan-4-yl)ethyl]hydrazine (CID 107996948) is [1-(2-bromo-4-chlorophenyl)-2-(oxan-4-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(2-bromo-4-chlorophenyl)-2-(oxan-4-yl)ethyl]hydrazine?
The canonical SMILES for [1-(2-bromo-4-chlorophenyl)-2-(oxan-4-yl)ethyl]hydrazine is NNC(CC1CCOCC1)c1ccc(Cl)cc1Br.
What is the InChIKey of [1-(2-bromo-4-chlorophenyl)-2-(oxan-4-yl)ethyl]hydrazine?
The InChIKey is ODKXNZATRMTDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2O/c14-12-8-10(15)1-2-11(12)13(17-16)7-9-3-5-18-6-4-9/h1-2,8-9,13,17H,3-7,16H2.
What are the key properties of [1-(2-bromo-4-chlorophenyl)-2-(oxan-4-yl)ethyl]hydrazine?
[1-(2-bromo-4-chlorophenyl)-2-(oxan-4-yl)ethyl]hydrazine has a molecular weight of 333.66 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-4-chlorophenyl)-2-(oxan-4-yl)ethyl]hydrazine is sourced from PubChem (CID 107996948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).