1-(3-bromo-4-methoxyphenyl)ethylhydrazine

C9H13BrN2O — CID 82478801

IUPAC1-(3-bromo-4-methoxyphenyl)ethylhydrazine
SMILESCOc1ccc(C(C)NN)cc1Br
InChIInChI=1S/C9H13BrN2O/c1-6(12-11)7-3-4-9(13-2)8(10)5-7/h3-6,12H,11H2,1-2H3
InChIKeyITFMDNMIJQNTMF-UHFFFAOYSA-N
MW245.12 g/mol
LogP1.98
Rot. Bonds3

About 1-(3-bromo-4-methoxyphenyl)ethylhydrazine

1-(3-bromo-4-methoxyphenyl)ethylhydrazine (PubChem CID 82478801) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)ethylhydrazine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)ethylhydrazine
PubChem CID82478801
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name1-(3-bromo-4-methoxyphenyl)ethylhydrazine
SMILESCOc1ccc(C(C)NN)cc1Br
InChIInChI=1S/C9H13BrN2O/c1-6(12-11)7-3-4-9(13-2)8(10)5-7/h3-6,12H,11H2,1-2H3
InChIKeyITFMDNMIJQNTMF-UHFFFAOYSA-N
XLogP1.98
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 51.98
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

(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696
(1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-(4-bromophenyl)ethanamine
CID 81355700
(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 164536532
[(3-bromo-4-methoxyphenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105312956
N-[1-(3-bromo-4-methoxyphenyl)ethyl]aniline
CID 43756086
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3,3-dimethylbutan-2-amine
CID 104827887
N-[1-(3-bromo-4-methoxyphenyl)ethyl]but-3-yn-2-amine
CID 114415474
(1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81350501
N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide
CID 47119084
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3,5-dimethylaniline
CID 43763980
(1S,2S)-1-(3-bromo-4-methoxyphenyl)propane-1,2-diamine
CID 131002328
bromo-(3-bromo-4-methoxyphenyl)methanamine
CID 116947586

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)ethylhydrazine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)ethylhydrazine (CID 82478801) is 1-(3-bromo-4-methoxyphenyl)ethylhydrazine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)ethylhydrazine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)ethylhydrazine is COc1ccc(C(C)NN)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)ethylhydrazine?
The InChIKey is ITFMDNMIJQNTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-6(12-11)7-3-4-9(13-2)8(10)5-7/h3-6,12H,11H2,1-2H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)ethylhydrazine?
1-(3-bromo-4-methoxyphenyl)ethylhydrazine has a molecular weight of 245.12 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)ethylhydrazine is sourced from PubChem (CID 82478801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).