[1-(4-bromo-3,5-dimethylphenyl)-2-(2,6-dichlorophenyl)ethyl]hydrazine

C16H17BrCl2N2 — CID 105279419

IUPAC[1-(4-bromo-3,5-dimethylphenyl)-2-(2,6-dichlorophenyl)ethyl]hydrazine
SMILESCc1cc(C(Cc2c(Cl)cccc2Cl)NN)cc(C)c1Br
InChIInChI=1S/C16H17BrCl2N2/c1-9-6-11(7-10(2)16(9)17)15(21-20)8-12-13(18)4-3-5-14(12)19/h3-7,15,21H,8,20H2,1-2H3
InChIKeyYKPOTPARFSJHQT-UHFFFAOYSA-N
MW388.14 g/mol
LogP5.12
Rot. Bonds4

About [1-(4-bromo-3,5-dimethylphenyl)-2-(2,6-dichlorophenyl)ethyl]hydrazine

[1-(4-bromo-3,5-dimethylphenyl)-2-(2,6-dichlorophenyl)ethyl]hydrazine (PubChem CID 105279419) has the molecular formula C16H17BrCl2N2 and a molecular weight of 388.14 g/mol. Its IUPAC name is [1-(4-bromo-3,5-dimethylphenyl)-2-(2,6-dichlorophenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-3,5-dimethylphenyl)-2-(2,6-dichlorophenyl)ethyl]hydrazine
PubChem CID105279419
Molecular FormulaC16H17BrCl2N2
Molecular Weight388.14 g/mol
Exact Mass386.00
IUPAC Name[1-(4-bromo-3,5-dimethylphenyl)-2-(2,6-dichlorophenyl)ethyl]hydrazine
SMILESCc1cc(C(Cc2c(Cl)cccc2Cl)NN)cc(C)c1Br
InChIInChI=1S/C16H17BrCl2N2/c1-9-6-11(7-10(2)16(9)17)15(21-20)8-12-13(18)4-3-5-14(12)19/h3-7,15,21H,8,20H2,1-2H3
InChIKeyYKPOTPARFSJHQT-UHFFFAOYSA-N
XLogP5.12
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.14
LogP ≤ 55.12
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-(4-bromo-3,5-dimethylphenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 114330396
1-(4-bromo-3,5-dimethylphenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 114330130
[2-(2,6-dichlorophenyl)-1-(5-methylfuran-3-yl)ethyl]hydrazine
CID 105293152
[1-(3-bromo-4-methoxyphenyl)-2-(2,6-dichlorophenyl)ethyl]hydrazine
CID 105293177
[2-(2,6-dichlorophenyl)-1-(3-methoxyphenyl)ethyl]hydrazine
CID 105191602
[1-(4-bromo-3,5-dimethylphenyl)-2-(2,5-dimethylphenyl)ethyl]hydrazine
CID 105279428
1-(4-bromo-3,5-dimethylphenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine
CID 107309145
[1-(4-chloro-3-methoxyphenyl)-2-(2,6-dichlorophenyl)ethyl]hydrazine
CID 105209707
[1-(4-bromo-2,6-difluorophenyl)-2-(2,6-dichlorophenyl)ethyl]hydrazine
CID 105293207
[2-(2-chloro-6-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethyl]hydrazine
CID 105258266
[1-(3-chloro-2-methylphenyl)-2-(2,4,6-trimethylphenyl)ethyl]hydrazine
CID 107103616
[2-(2,6-dichlorophenyl)-1-pyridin-3-ylethyl]hydrazine
CID 105196072

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-3,5-dimethylphenyl)-2-(2,6-dichlorophenyl)ethyl]hydrazine?
The IUPAC name of [1-(4-bromo-3,5-dimethylphenyl)-2-(2,6-dichlorophenyl)ethyl]hydrazine (CID 105279419) is [1-(4-bromo-3,5-dimethylphenyl)-2-(2,6-dichlorophenyl)ethyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-3,5-dimethylphenyl)-2-(2,6-dichlorophenyl)ethyl]hydrazine?
The canonical SMILES for [1-(4-bromo-3,5-dimethylphenyl)-2-(2,6-dichlorophenyl)ethyl]hydrazine is Cc1cc(C(Cc2c(Cl)cccc2Cl)NN)cc(C)c1Br.
What is the InChIKey of [1-(4-bromo-3,5-dimethylphenyl)-2-(2,6-dichlorophenyl)ethyl]hydrazine?
The InChIKey is YKPOTPARFSJHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrCl2N2/c1-9-6-11(7-10(2)16(9)17)15(21-20)8-12-13(18)4-3-5-14(12)19/h3-7,15,21H,8,20H2,1-2H3.
What are the key properties of [1-(4-bromo-3,5-dimethylphenyl)-2-(2,6-dichlorophenyl)ethyl]hydrazine?
[1-(4-bromo-3,5-dimethylphenyl)-2-(2,6-dichlorophenyl)ethyl]hydrazine has a molecular weight of 388.14 g/mol, XLogP of 5.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-3,5-dimethylphenyl)-2-(2,6-dichlorophenyl)ethyl]hydrazine is sourced from PubChem (CID 105279419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).