4-bromo-2-[(3-cyclobutylphenyl)-hydrazinylmethyl]aniline

C17H20BrN3 — CID 105263441

IUPAC4-bromo-2-[(3-cyclobutylphenyl)-hydrazinylmethyl]aniline
SMILESNNC(c1cccc(C2CCC2)c1)c1cc(Br)ccc1N
InChIInChI=1S/C17H20BrN3/c18-14-7-8-16(19)15(10-14)17(21-20)13-6-2-5-12(9-13)11-3-1-4-11/h2,5-11,17,21H,1,3-4,19-20H2
InChIKeyUHVGXWIFYRUALC-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.85
Rot. Bonds4

About 4-bromo-2-[(3-cyclobutylphenyl)-hydrazinylmethyl]aniline

4-bromo-2-[(3-cyclobutylphenyl)-hydrazinylmethyl]aniline (PubChem CID 105263441) has the molecular formula C17H20BrN3 and a molecular weight of 346.27 g/mol. Its IUPAC name is 4-bromo-2-[(3-cyclobutylphenyl)-hydrazinylmethyl]aniline.

Molecular Properties

Compound Name4-bromo-2-[(3-cyclobutylphenyl)-hydrazinylmethyl]aniline
PubChem CID105263441
Molecular FormulaC17H20BrN3
Molecular Weight346.27 g/mol
Exact Mass345.08
IUPAC Name4-bromo-2-[(3-cyclobutylphenyl)-hydrazinylmethyl]aniline
SMILESNNC(c1cccc(C2CCC2)c1)c1cc(Br)ccc1N
InChIInChI=1S/C17H20BrN3/c18-14-7-8-16(19)15(10-14)17(21-20)13-6-2-5-12(9-13)11-3-1-4-11/h2,5-11,17,21H,1,3-4,19-20H2
InChIKeyUHVGXWIFYRUALC-UHFFFAOYSA-N
XLogP3.85
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 53.85
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

[(3-bromo-2-methylphenyl)-(3-cyclobutylphenyl)methyl]hydrazine
CID 105342034
[(2-bromo-5-fluorophenyl)-(3-cyclobutylphenyl)methyl]hydrazine
CID 105342038
[(4-bromo-3-fluorophenyl)-(3-cyclobutylphenyl)methyl]hydrazine
CID 105342018
[(3-cyclobutylphenyl)-(4,5-dibromothiophen-2-yl)methyl]hydrazine
CID 105342056
[(2-chlorofuran-3-yl)-(3-cyclobutylphenyl)methyl]hydrazine
CID 106694793
[(3-cyclobutylphenyl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105342013
[(3-cyclobutylphenyl)-(2,6-dimethyl-3-pyridinyl)methyl]hydrazine
CID 105341962
[(3-cyclobutylphenyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105279785
[(3-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]hydrazine
CID 105341956
4-bromo-2-[cyclobutyl(hydrazinyl)methyl]aniline
CID 105263606
[(3-cyclobutylphenyl)-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 105342046
1-(3-cyclobutylphenyl)propylhydrazine
CID 105200963

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(3-cyclobutylphenyl)-hydrazinylmethyl]aniline?
The IUPAC name of 4-bromo-2-[(3-cyclobutylphenyl)-hydrazinylmethyl]aniline (CID 105263441) is 4-bromo-2-[(3-cyclobutylphenyl)-hydrazinylmethyl]aniline.
What is the SMILES notation for 4-bromo-2-[(3-cyclobutylphenyl)-hydrazinylmethyl]aniline?
The canonical SMILES for 4-bromo-2-[(3-cyclobutylphenyl)-hydrazinylmethyl]aniline is NNC(c1cccc(C2CCC2)c1)c1cc(Br)ccc1N.
What is the InChIKey of 4-bromo-2-[(3-cyclobutylphenyl)-hydrazinylmethyl]aniline?
The InChIKey is UHVGXWIFYRUALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3/c18-14-7-8-16(19)15(10-14)17(21-20)13-6-2-5-12(9-13)11-3-1-4-11/h2,5-11,17,21H,1,3-4,19-20H2.
What are the key properties of 4-bromo-2-[(3-cyclobutylphenyl)-hydrazinylmethyl]aniline?
4-bromo-2-[(3-cyclobutylphenyl)-hydrazinylmethyl]aniline has a molecular weight of 346.27 g/mol, XLogP of 3.85, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(3-cyclobutylphenyl)-hydrazinylmethyl]aniline is sourced from PubChem (CID 105263441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).