[3-(1-bromoethyl)-4-methylphenyl]hydrazine

C9H13BrN2 — CID 174420813

IUPAC[3-(1-bromoethyl)-4-methylphenyl]hydrazine
SMILESCc1ccc(NN)cc1C(C)Br
InChIInChI=1S/C9H13BrN2/c1-6-3-4-8(12-11)5-9(6)7(2)10/h3-5,7,12H,11H2,1-2H3
InChIKeyVUJMATHNXCBUIF-UHFFFAOYSA-N
MW229.12 g/mol
LogP2.74
Rot. Bonds2

About [3-(1-bromoethyl)-4-methylphenyl]hydrazine

[3-(1-bromoethyl)-4-methylphenyl]hydrazine (PubChem CID 174420813) has the molecular formula C9H13BrN2 and a molecular weight of 229.12 g/mol. Its IUPAC name is [3-(1-bromoethyl)-4-methylphenyl]hydrazine.

Molecular Properties

Compound Name[3-(1-bromoethyl)-4-methylphenyl]hydrazine
PubChem CID174420813
Molecular FormulaC9H13BrN2
Molecular Weight229.12 g/mol
Exact Mass228.03
IUPAC Name[3-(1-bromoethyl)-4-methylphenyl]hydrazine
SMILESCc1ccc(NN)cc1C(C)Br
InChIInChI=1S/C9H13BrN2/c1-6-3-4-8(12-11)5-9(6)7(2)10/h3-5,7,12H,11H2,1-2H3
InChIKeyVUJMATHNXCBUIF-UHFFFAOYSA-N
XLogP2.74
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1-bromoethyl)-4-iodo-1-methylbenzene
CID 174765860
N,4-dimethyl-3-propan-2-ylaniline
CID 45096209
(3-fluoro-4-methylphenyl)hydrazine;hydrochloride
CID 44557932
(4-fluoro-3-methylphenyl)hydrazine;hydrochloride
CID 18355387
[1-(2,5-dimethylphenyl)-2,3-dimethylbutyl]hydrazine
CID 105292596
(3-cyclobutyl-4-methylphenyl)hydrazine
CID 174794368
(4-chloro-3-methylsulfanylphenyl)hydrazine
CID 130781584
3-[(1R)-1-bromoethyl]-4-methylpyridine
CID 124706368
(6-methylnaphthalen-2-yl)hydrazine
CID 59593900
bromo-(2,5-dimethylphenyl)methanamine
CID 116947555
(4-propan-2-ylphenyl)hydrazine
CID 2733249
4-hydrazinyl-2-methylbenzonitrile;hydrochloride
CID 46915033

Frequently Asked Questions

What is the IUPAC name of [3-(1-bromoethyl)-4-methylphenyl]hydrazine?
The IUPAC name of [3-(1-bromoethyl)-4-methylphenyl]hydrazine (CID 174420813) is [3-(1-bromoethyl)-4-methylphenyl]hydrazine.
What is the SMILES notation for [3-(1-bromoethyl)-4-methylphenyl]hydrazine?
The canonical SMILES for [3-(1-bromoethyl)-4-methylphenyl]hydrazine is Cc1ccc(NN)cc1C(C)Br.
What is the InChIKey of [3-(1-bromoethyl)-4-methylphenyl]hydrazine?
The InChIKey is VUJMATHNXCBUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2/c1-6-3-4-8(12-11)5-9(6)7(2)10/h3-5,7,12H,11H2,1-2H3.
What are the key properties of [3-(1-bromoethyl)-4-methylphenyl]hydrazine?
[3-(1-bromoethyl)-4-methylphenyl]hydrazine has a molecular weight of 229.12 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-bromoethyl)-4-methylphenyl]hydrazine is sourced from PubChem (CID 174420813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).