[(2-bromo-4-methylphenyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine

C17H21BrN2O — CID 105304109

IUPAC[(2-bromo-4-methylphenyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine
SMILESCc1ccc(C(NN)c2ccc(OC(C)C)cc2)c(Br)c1
InChIInChI=1S/C17H21BrN2O/c1-11(2)21-14-7-5-13(6-8-14)17(20-19)15-9-4-12(3)10-16(15)18/h4-11,17,20H,19H2,1-3H3
InChIKeyBPOIHFXTAZIHHB-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.10
Rot. Bonds5

About [(2-bromo-4-methylphenyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine

[(2-bromo-4-methylphenyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine (PubChem CID 105304109) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is [(2-bromo-4-methylphenyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-bromo-4-methylphenyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine
PubChem CID105304109
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name[(2-bromo-4-methylphenyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine
SMILESCc1ccc(C(NN)c2ccc(OC(C)C)cc2)c(Br)c1
InChIInChI=1S/C17H21BrN2O/c1-11(2)21-14-7-5-13(6-8-14)17(20-19)15-9-4-12(3)10-16(15)18/h4-11,17,20H,19H2,1-3H3
InChIKeyBPOIHFXTAZIHHB-UHFFFAOYSA-N
XLogP4.10
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.10
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

[(2-bromo-4-methylphenyl)-phenylmethyl]hydrazine
CID 105282916
[(2-bromo-4-methylphenyl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105286712
[(2-bromo-4-methylphenyl)-(3,4-dichlorophenyl)methyl]hydrazine
CID 105281300
[(4-bromo-3-fluorophenyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine
CID 105304152
[(4-methyl-3-pyridinyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine
CID 105279939
[(2-bromo-4-methylphenyl)-(2-chlorophenyl)methyl]hydrazine
CID 105287348
[(5-bromo-3-pyridinyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine
CID 105251286
(2-bromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 105019095
[(2-bromo-5-methylphenyl)-(4-cyclopropyloxyphenyl)methyl]hydrazine
CID 105341051
2-bromo-5-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 82745570
[(2-bromo-4-methylphenyl)-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 105288068
2-chloro-1-[chloro-(4-propan-2-yloxyphenyl)methyl]-4-methylbenzene
CID 106862927

Frequently Asked Questions

What is the IUPAC name of [(2-bromo-4-methylphenyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine?
The IUPAC name of [(2-bromo-4-methylphenyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine (CID 105304109) is [(2-bromo-4-methylphenyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine.
What is the SMILES notation for [(2-bromo-4-methylphenyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine?
The canonical SMILES for [(2-bromo-4-methylphenyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine is Cc1ccc(C(NN)c2ccc(OC(C)C)cc2)c(Br)c1.
What is the InChIKey of [(2-bromo-4-methylphenyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine?
The InChIKey is BPOIHFXTAZIHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-11(2)21-14-7-5-13(6-8-14)17(20-19)15-9-4-12(3)10-16(15)18/h4-11,17,20H,19H2,1-3H3.
What are the key properties of [(2-bromo-4-methylphenyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine?
[(2-bromo-4-methylphenyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine has a molecular weight of 349.27 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-bromo-4-methylphenyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine is sourced from PubChem (CID 105304109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).