[(3-bromo-2-methylphenyl)-(3-cyclobutylphenyl)methyl]hydrazine

C18H21BrN2 — CID 105342034

IUPAC[(3-bromo-2-methylphenyl)-(3-cyclobutylphenyl)methyl]hydrazine
SMILESCc1c(Br)cccc1C(NN)c1cccc(C2CCC2)c1
InChIInChI=1S/C18H21BrN2/c1-12-16(9-4-10-17(12)19)18(21-20)15-8-3-7-14(11-15)13-5-2-6-13/h3-4,7-11,13,18,21H,2,5-6,20H2,1H3
InChIKeyKFZJIBOCFODRHM-UHFFFAOYSA-N
MW345.28 g/mol
LogP4.58
Rot. Bonds4

About [(3-bromo-2-methylphenyl)-(3-cyclobutylphenyl)methyl]hydrazine

[(3-bromo-2-methylphenyl)-(3-cyclobutylphenyl)methyl]hydrazine (PubChem CID 105342034) has the molecular formula C18H21BrN2 and a molecular weight of 345.28 g/mol. Its IUPAC name is [(3-bromo-2-methylphenyl)-(3-cyclobutylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-2-methylphenyl)-(3-cyclobutylphenyl)methyl]hydrazine
PubChem CID105342034
Molecular FormulaC18H21BrN2
Molecular Weight345.28 g/mol
Exact Mass344.09
IUPAC Name[(3-bromo-2-methylphenyl)-(3-cyclobutylphenyl)methyl]hydrazine
SMILESCc1c(Br)cccc1C(NN)c1cccc(C2CCC2)c1
InChIInChI=1S/C18H21BrN2/c1-12-16(9-4-10-17(12)19)18(21-20)15-8-3-7-14(11-15)13-5-2-6-13/h3-4,7-11,13,18,21H,2,5-6,20H2,1H3
InChIKeyKFZJIBOCFODRHM-UHFFFAOYSA-N
XLogP4.58
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

[(2-bromo-5-fluorophenyl)-(3-cyclobutylphenyl)methyl]hydrazine
CID 105342038
[(3-cyclobutylphenyl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105342013
4-bromo-2-[(3-cyclobutylphenyl)-hydrazinylmethyl]aniline
CID 105263441
[(3-cyclobutylphenyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105279785
[(3-cyclobutylphenyl)-(2,6-dimethyl-3-pyridinyl)methyl]hydrazine
CID 105341962
[(4-bromo-3-fluorophenyl)-(3-cyclobutylphenyl)methyl]hydrazine
CID 105342018
[(3-cyclobutylphenyl)-(4,5-dibromothiophen-2-yl)methyl]hydrazine
CID 105342056
[(3-bromo-2-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]hydrazine
CID 114195253
[(3-bromo-2-methylphenyl)-(3,4-dimethylphenyl)methyl]hydrazine
CID 105300284
[(3-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]hydrazine
CID 105341956
[(2-chlorofuran-3-yl)-(3-cyclobutylphenyl)methyl]hydrazine
CID 106694793
[(2-cyclobutylphenyl)-(3-methylphenyl)methyl]hydrazine
CID 105200669

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-2-methylphenyl)-(3-cyclobutylphenyl)methyl]hydrazine?
The IUPAC name of [(3-bromo-2-methylphenyl)-(3-cyclobutylphenyl)methyl]hydrazine (CID 105342034) is [(3-bromo-2-methylphenyl)-(3-cyclobutylphenyl)methyl]hydrazine.
What is the SMILES notation for [(3-bromo-2-methylphenyl)-(3-cyclobutylphenyl)methyl]hydrazine?
The canonical SMILES for [(3-bromo-2-methylphenyl)-(3-cyclobutylphenyl)methyl]hydrazine is Cc1c(Br)cccc1C(NN)c1cccc(C2CCC2)c1.
What is the InChIKey of [(3-bromo-2-methylphenyl)-(3-cyclobutylphenyl)methyl]hydrazine?
The InChIKey is KFZJIBOCFODRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2/c1-12-16(9-4-10-17(12)19)18(21-20)15-8-3-7-14(11-15)13-5-2-6-13/h3-4,7-11,13,18,21H,2,5-6,20H2,1H3.
What are the key properties of [(3-bromo-2-methylphenyl)-(3-cyclobutylphenyl)methyl]hydrazine?
[(3-bromo-2-methylphenyl)-(3-cyclobutylphenyl)methyl]hydrazine has a molecular weight of 345.28 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromo-2-methylphenyl)-(3-cyclobutylphenyl)methyl]hydrazine is sourced from PubChem (CID 105342034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).