[(2-bromo-3-methylphenyl)-(4-tert-butylphenyl)methyl]hydrazine

C18H23BrN2 — CID 107986010

IUPAC[(2-bromo-3-methylphenyl)-(4-tert-butylphenyl)methyl]hydrazine
SMILESCc1cccc(C(NN)c2ccc(C(C)(C)C)cc2)c1Br
InChIInChI=1S/C18H23BrN2/c1-12-6-5-7-15(16(12)19)17(21-20)13-8-10-14(11-9-13)18(2,3)4/h5-11,17,21H,20H2,1-4H3
InChIKeyNYDOQDXESVUPQW-UHFFFAOYSA-N
MW347.30 g/mol
LogP4.61
Rot. Bonds3

About [(2-bromo-3-methylphenyl)-(4-tert-butylphenyl)methyl]hydrazine

[(2-bromo-3-methylphenyl)-(4-tert-butylphenyl)methyl]hydrazine (PubChem CID 107986010) has the molecular formula C18H23BrN2 and a molecular weight of 347.30 g/mol. Its IUPAC name is [(2-bromo-3-methylphenyl)-(4-tert-butylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-bromo-3-methylphenyl)-(4-tert-butylphenyl)methyl]hydrazine
PubChem CID107986010
Molecular FormulaC18H23BrN2
Molecular Weight347.30 g/mol
Exact Mass346.10
IUPAC Name[(2-bromo-3-methylphenyl)-(4-tert-butylphenyl)methyl]hydrazine
SMILESCc1cccc(C(NN)c2ccc(C(C)(C)C)cc2)c1Br
InChIInChI=1S/C18H23BrN2/c1-12-6-5-7-15(16(12)19)17(21-20)13-8-10-14(11-9-13)18(2,3)4/h5-11,17,21H,20H2,1-4H3
InChIKeyNYDOQDXESVUPQW-UHFFFAOYSA-N
XLogP4.61
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 54.61
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

[(4-tert-butylphenyl)-(2-chloro-3-fluorophenyl)methyl]hydrazine
CID 105300390
[(2-bromo-3-methylphenyl)-(3,4-dimethoxyphenyl)methyl]hydrazine
CID 107986014
[(4-tert-butylphenyl)-(2-methylsulfanylphenyl)methyl]hydrazine
CID 105300389
1-(2-bromo-3-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 107981867
[(2-bromo-3-methylphenyl)-(2-fluorophenyl)methyl]hydrazine
CID 107985973
[(5-bromo-2-chlorophenyl)-(4-tert-butylphenyl)methyl]hydrazine
CID 105300354
1-(4-tert-butylphenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 43484460
[(2-bromo-3-methylphenyl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine
CID 107986248
[(4-tert-butylphenyl)-(2-methylthiophen-3-yl)methyl]hydrazine
CID 102843361
[(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]hydrazine
CID 107986143
[(4-tert-butylphenyl)-(3-chloro-4-methylphenyl)methyl]hydrazine
CID 105300392
[(4-tert-butylphenyl)-pyrimidin-2-ylmethyl]hydrazine
CID 105203825

Frequently Asked Questions

What is the IUPAC name of [(2-bromo-3-methylphenyl)-(4-tert-butylphenyl)methyl]hydrazine?
The IUPAC name of [(2-bromo-3-methylphenyl)-(4-tert-butylphenyl)methyl]hydrazine (CID 107986010) is [(2-bromo-3-methylphenyl)-(4-tert-butylphenyl)methyl]hydrazine.
What is the SMILES notation for [(2-bromo-3-methylphenyl)-(4-tert-butylphenyl)methyl]hydrazine?
The canonical SMILES for [(2-bromo-3-methylphenyl)-(4-tert-butylphenyl)methyl]hydrazine is Cc1cccc(C(NN)c2ccc(C(C)(C)C)cc2)c1Br.
What is the InChIKey of [(2-bromo-3-methylphenyl)-(4-tert-butylphenyl)methyl]hydrazine?
The InChIKey is NYDOQDXESVUPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2/c1-12-6-5-7-15(16(12)19)17(21-20)13-8-10-14(11-9-13)18(2,3)4/h5-11,17,21H,20H2,1-4H3.
What are the key properties of [(2-bromo-3-methylphenyl)-(4-tert-butylphenyl)methyl]hydrazine?
[(2-bromo-3-methylphenyl)-(4-tert-butylphenyl)methyl]hydrazine has a molecular weight of 347.30 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-bromo-3-methylphenyl)-(4-tert-butylphenyl)methyl]hydrazine is sourced from PubChem (CID 107986010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).