3-(2-bromophenoxy)propylhydrazine

C9H13BrN2O — CID 94688539

IUPAC3-(2-bromophenoxy)propylhydrazine
SMILESNNCCCOc1ccccc1Br
InChIInChI=1S/C9H13BrN2O/c10-8-4-1-2-5-9(8)13-7-3-6-12-11/h1-2,4-5,12H,3,6-7,11H2
InChIKeyOEXSNGWPIJLHRC-UHFFFAOYSA-N
MW245.12 g/mol
LogP1.68
Rot. Bonds5

About 3-(2-bromophenoxy)propylhydrazine

3-(2-bromophenoxy)propylhydrazine (PubChem CID 94688539) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is 3-(2-bromophenoxy)propylhydrazine.

Molecular Properties

Compound Name3-(2-bromophenoxy)propylhydrazine
PubChem CID94688539
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name3-(2-bromophenoxy)propylhydrazine
SMILESNNCCCOc1ccccc1Br
InChIInChI=1S/C9H13BrN2O/c10-8-4-1-2-5-9(8)13-7-3-6-12-11/h1-2,4-5,12H,3,6-7,11H2
InChIKeyOEXSNGWPIJLHRC-UHFFFAOYSA-N
XLogP1.68
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 51.68
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

N'-[2-(2-bromophenoxy)ethyl]ethane-1,2-diamine;dihydrochloride
CID 69275255
1-bromo-2-(3-chloropropoxy)benzene
CID 22048648
3-(2-propan-2-ylphenoxy)propylhydrazine
CID 94681406
(2R)-N-[3-(2-bromophenoxy)propyl]butan-2-amine
CID 2182681
1-bromo-2-(3-phenoxypropoxy)benzene
CID 60665314
1-bromo-2-(4-phenoxybutoxy)benzene
CID 54285155
3-(2-bromophenoxy)propanehydrazide
CID 61059905
2-(2-fluorophenoxy)ethylhydrazine
CID 82125131
N-[2-(2-bromophenoxy)ethyl]-4-chloroaniline
CID 63505941
(2-bromophenoxy)methanamine
CID 57278354
N-[2-(2-bromophenoxy)ethyl]-2-methylpropanamide
CID 113099538
2-(2-bromophenoxy)-N-[(4-fluorophenyl)methyl]ethanamine
CID 68827135

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenoxy)propylhydrazine?
The IUPAC name of 3-(2-bromophenoxy)propylhydrazine (CID 94688539) is 3-(2-bromophenoxy)propylhydrazine.
What is the SMILES notation for 3-(2-bromophenoxy)propylhydrazine?
The canonical SMILES for 3-(2-bromophenoxy)propylhydrazine is NNCCCOc1ccccc1Br.
What is the InChIKey of 3-(2-bromophenoxy)propylhydrazine?
The InChIKey is OEXSNGWPIJLHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c10-8-4-1-2-5-9(8)13-7-3-6-12-11/h1-2,4-5,12H,3,6-7,11H2.
What are the key properties of 3-(2-bromophenoxy)propylhydrazine?
3-(2-bromophenoxy)propylhydrazine has a molecular weight of 245.12 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenoxy)propylhydrazine is sourced from PubChem (CID 94688539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).