4-bromo-2-(1-hydrazinyl-2,2-dimethylpropyl)aniline

C11H18BrN3 — CID 105263598

IUPAC4-bromo-2-(1-hydrazinyl-2,2-dimethylpropyl)aniline
SMILESCC(C)(C)C(NN)c1cc(Br)ccc1N
InChIInChI=1S/C11H18BrN3/c1-11(2,3)10(15-14)8-6-7(12)4-5-9(8)13/h4-6,10,15H,13-14H2,1-3H3
InChIKeyFTEFYAOBKRFYBQ-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.58
Rot. Bonds2

About 4-bromo-2-(1-hydrazinyl-2,2-dimethylpropyl)aniline

4-bromo-2-(1-hydrazinyl-2,2-dimethylpropyl)aniline (PubChem CID 105263598) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is 4-bromo-2-(1-hydrazinyl-2,2-dimethylpropyl)aniline.

Molecular Properties

Compound Name4-bromo-2-(1-hydrazinyl-2,2-dimethylpropyl)aniline
PubChem CID105263598
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC Name4-bromo-2-(1-hydrazinyl-2,2-dimethylpropyl)aniline
SMILESCC(C)(C)C(NN)c1cc(Br)ccc1N
InChIInChI=1S/C11H18BrN3/c1-11(2,3)10(15-14)8-6-7(12)4-5-9(8)13/h4-6,10,15H,13-14H2,1-3H3
InChIKeyFTEFYAOBKRFYBQ-UHFFFAOYSA-N
XLogP2.58
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-(1-hydrazinyl-2,2-dimethylpropyl)aniline
CID 105263294
1-(2-amino-5-bromophenyl)-2,2-dimethylpropan-1-ol
CID 82703334
1-(2-amino-5-bromophenyl)ethanol
CID 68865052
4-bromo-2-[(2-fluoro-5-methylphenyl)-hydrazinylmethyl]aniline
CID 105263411
4-bromo-2-(1-hydrazinyl-4-methylpent-4-enyl)aniline
CID 105263475
4-bromo-2-[(2-chlorophenyl)-hydrazinylmethyl]aniline
CID 105263375
4-bromo-2-[(2,5-dichlorophenyl)-hydrazinylmethyl]aniline
CID 105263516
[1-(5-bromo-2-fluorophenyl)-2-chloro-2,2-difluoroethyl]hydrazine
CID 105265536
4-bromo-2-[(2,5-dimethoxyphenyl)-hydrazinylmethyl]aniline
CID 105263567
4-bromo-2-(1-hydrazinyloctyl)aniline
CID 105263445
4-bromo-2-[cyclobutyl(hydrazinyl)methyl]aniline
CID 105263606
4-amino-2-(2-amino-5-bromophenyl)-4-methylpentan-1-ol
CID 67147967

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1-hydrazinyl-2,2-dimethylpropyl)aniline?
The IUPAC name of 4-bromo-2-(1-hydrazinyl-2,2-dimethylpropyl)aniline (CID 105263598) is 4-bromo-2-(1-hydrazinyl-2,2-dimethylpropyl)aniline.
What is the SMILES notation for 4-bromo-2-(1-hydrazinyl-2,2-dimethylpropyl)aniline?
The canonical SMILES for 4-bromo-2-(1-hydrazinyl-2,2-dimethylpropyl)aniline is CC(C)(C)C(NN)c1cc(Br)ccc1N.
What is the InChIKey of 4-bromo-2-(1-hydrazinyl-2,2-dimethylpropyl)aniline?
The InChIKey is FTEFYAOBKRFYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-11(2,3)10(15-14)8-6-7(12)4-5-9(8)13/h4-6,10,15H,13-14H2,1-3H3.
What are the key properties of 4-bromo-2-(1-hydrazinyl-2,2-dimethylpropyl)aniline?
4-bromo-2-(1-hydrazinyl-2,2-dimethylpropyl)aniline has a molecular weight of 272.19 g/mol, XLogP of 2.58, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(1-hydrazinyl-2,2-dimethylpropyl)aniline is sourced from PubChem (CID 105263598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).