[1-(4-bromo-2-chlorophenyl)-3-methylhexan-2-yl]hydrazine

C13H20BrClN2 — CID 105335234

IUPAC[1-(4-bromo-2-chlorophenyl)-3-methylhexan-2-yl]hydrazine
SMILESCCCC(C)C(Cc1ccc(Br)cc1Cl)NN
InChIInChI=1S/C13H20BrClN2/c1-3-4-9(2)13(17-16)7-10-5-6-11(14)8-12(10)15/h5-6,8-9,13,17H,3-4,7,16H2,1-2H3
InChIKeyHRBXWHYYSPTMMA-UHFFFAOYSA-N
MW319.67 g/mol
LogP3.91
Rot. Bonds6

About [1-(4-bromo-2-chlorophenyl)-3-methylhexan-2-yl]hydrazine

[1-(4-bromo-2-chlorophenyl)-3-methylhexan-2-yl]hydrazine (PubChem CID 105335234) has the molecular formula C13H20BrClN2 and a molecular weight of 319.67 g/mol. Its IUPAC name is [1-(4-bromo-2-chlorophenyl)-3-methylhexan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-2-chlorophenyl)-3-methylhexan-2-yl]hydrazine
PubChem CID105335234
Molecular FormulaC13H20BrClN2
Molecular Weight319.67 g/mol
Exact Mass318.05
IUPAC Name[1-(4-bromo-2-chlorophenyl)-3-methylhexan-2-yl]hydrazine
SMILESCCCC(C)C(Cc1ccc(Br)cc1Cl)NN
InChIInChI=1S/C13H20BrClN2/c1-3-4-9(2)13(17-16)7-10-5-6-11(14)8-12(10)15/h5-6,8-9,13,17H,3-4,7,16H2,1-2H3
InChIKeyHRBXWHYYSPTMMA-UHFFFAOYSA-N
XLogP3.91
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.67
LogP ≤ 53.91
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

[1-(3-bromophenyl)-3-methylhexan-2-yl]hydrazine
CID 105284586
1-(4-bromo-2-chlorophenyl)octan-2-ylhydrazine
CID 105335285
1-(2-chloro-4-methylphenyl)-N-ethyl-3-methylhexan-2-amine
CID 106866972
1-(4-bromo-2-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116718017
1-(4-bromo-2-chlorophenyl)-3-ethyl-N-propylheptan-2-amine
CID 105037738
2-[(4-bromo-2-chlorophenyl)methyl]-N-ethylpentan-1-amine
CID 113471443
[1-(4-bromo-2-chlorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine
CID 105274474
4-bromo-2-chloro-1-(2-chloropropyl)benzene
CID 130480423
[1-(4-bromo-2-chlorophenyl)-4-methoxybutan-2-yl]hydrazine
CID 105206418
[1-(5-bromo-2-fluorophenyl)-3-methylpentan-2-yl]hydrazine
CID 105219642
[2-(4-bromo-2-chlorophenyl)-1-cyclobutylethyl]hydrazine
CID 105224466
[2-(4-bromo-2-chlorophenyl)-1-(3-methyl-2-pyridinyl)ethyl]hydrazine
CID 105209275

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-2-chlorophenyl)-3-methylhexan-2-yl]hydrazine?
The IUPAC name of [1-(4-bromo-2-chlorophenyl)-3-methylhexan-2-yl]hydrazine (CID 105335234) is [1-(4-bromo-2-chlorophenyl)-3-methylhexan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-bromo-2-chlorophenyl)-3-methylhexan-2-yl]hydrazine?
The canonical SMILES for [1-(4-bromo-2-chlorophenyl)-3-methylhexan-2-yl]hydrazine is CCCC(C)C(Cc1ccc(Br)cc1Cl)NN.
What is the InChIKey of [1-(4-bromo-2-chlorophenyl)-3-methylhexan-2-yl]hydrazine?
The InChIKey is HRBXWHYYSPTMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrClN2/c1-3-4-9(2)13(17-16)7-10-5-6-11(14)8-12(10)15/h5-6,8-9,13,17H,3-4,7,16H2,1-2H3.
What are the key properties of [1-(4-bromo-2-chlorophenyl)-3-methylhexan-2-yl]hydrazine?
[1-(4-bromo-2-chlorophenyl)-3-methylhexan-2-yl]hydrazine has a molecular weight of 319.67 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-2-chlorophenyl)-3-methylhexan-2-yl]hydrazine is sourced from PubChem (CID 105335234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).