[1-(4-bromo-2-methylphenyl)-3-(4-methoxyphenyl)propyl]hydrazine

C17H21BrN2O — CID 105310534

IUPAC[1-(4-bromo-2-methylphenyl)-3-(4-methoxyphenyl)propyl]hydrazine
SMILESCOc1ccc(CCC(NN)c2ccc(Br)cc2C)cc1
InChIInChI=1S/C17H21BrN2O/c1-12-11-14(18)6-9-16(12)17(20-19)10-5-13-3-7-15(21-2)8-4-13/h3-4,6-9,11,17,20H,5,10,19H2,1-2H3
InChIKeyFNDSTZMVILISTI-UHFFFAOYSA-N
MW349.27 g/mol
LogP3.90
Rot. Bonds6

About [1-(4-bromo-2-methylphenyl)-3-(4-methoxyphenyl)propyl]hydrazine

[1-(4-bromo-2-methylphenyl)-3-(4-methoxyphenyl)propyl]hydrazine (PubChem CID 105310534) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is [1-(4-bromo-2-methylphenyl)-3-(4-methoxyphenyl)propyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-2-methylphenyl)-3-(4-methoxyphenyl)propyl]hydrazine
PubChem CID105310534
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name[1-(4-bromo-2-methylphenyl)-3-(4-methoxyphenyl)propyl]hydrazine
SMILESCOc1ccc(CCC(NN)c2ccc(Br)cc2C)cc1
InChIInChI=1S/C17H21BrN2O/c1-12-11-14(18)6-9-16(12)17(20-19)10-5-13-3-7-15(21-2)8-4-13/h3-4,6-9,11,17,20H,5,10,19H2,1-2H3
InChIKeyFNDSTZMVILISTI-UHFFFAOYSA-N
XLogP3.90
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 53.90
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

[1-(4-methoxy-2-methylphenyl)-3-(3-methylphenyl)propyl]hydrazine
CID 105291631
1-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 43482663
[1-(4-fluoro-3-methylphenyl)-3-(4-methoxyphenyl)propyl]hydrazine
CID 105204009
[1-(2-fluoro-5-methylphenyl)-3-(4-methoxyphenyl)propyl]hydrazine
CID 105302706
[1-(3-bromothiophen-2-yl)-3-(4-methoxyphenyl)propyl]hydrazine
CID 105310605
[1-(2,5-difluorophenyl)-3-(4-methoxyphenyl)propyl]hydrazine
CID 105219321
[1-(4-bromo-2-methylphenyl)-4,4-dimethylpentyl]hydrazine
CID 105299902
[1-(2-iodophenyl)-3-(4-methoxyphenyl)propyl]hydrazine
CID 105310577
[1-(4-bromo-2-methylphenyl)-2-(2-methoxyphenyl)ethyl]hydrazine
CID 105289377
4-bromo-1-[1-chloro-2-(4-methoxyphenyl)ethyl]-2-methylbenzene
CID 63519198
1-(4-bromo-2-methylphenyl)undecylhydrazine
CID 105298297
1-(4-bromo-2-methylphenyl)octylhydrazine
CID 105293450

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-2-methylphenyl)-3-(4-methoxyphenyl)propyl]hydrazine?
The IUPAC name of [1-(4-bromo-2-methylphenyl)-3-(4-methoxyphenyl)propyl]hydrazine (CID 105310534) is [1-(4-bromo-2-methylphenyl)-3-(4-methoxyphenyl)propyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-2-methylphenyl)-3-(4-methoxyphenyl)propyl]hydrazine?
The canonical SMILES for [1-(4-bromo-2-methylphenyl)-3-(4-methoxyphenyl)propyl]hydrazine is COc1ccc(CCC(NN)c2ccc(Br)cc2C)cc1.
What is the InChIKey of [1-(4-bromo-2-methylphenyl)-3-(4-methoxyphenyl)propyl]hydrazine?
The InChIKey is FNDSTZMVILISTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-12-11-14(18)6-9-16(12)17(20-19)10-5-13-3-7-15(21-2)8-4-13/h3-4,6-9,11,17,20H,5,10,19H2,1-2H3.
What are the key properties of [1-(4-bromo-2-methylphenyl)-3-(4-methoxyphenyl)propyl]hydrazine?
[1-(4-bromo-2-methylphenyl)-3-(4-methoxyphenyl)propyl]hydrazine has a molecular weight of 349.27 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-2-methylphenyl)-3-(4-methoxyphenyl)propyl]hydrazine is sourced from PubChem (CID 105310534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).