[1-(3-bromo-5-fluorophenyl)-3-(4-methylphenyl)propan-2-yl]hydrazine

C16H18BrFN2 — CID 105211313

IUPAC[1-(3-bromo-5-fluorophenyl)-3-(4-methylphenyl)propan-2-yl]hydrazine
SMILESCc1ccc(CC(Cc2cc(F)cc(Br)c2)NN)cc1
InChIInChI=1S/C16H18BrFN2/c1-11-2-4-12(5-3-11)8-16(20-19)9-13-6-14(17)10-15(18)7-13/h2-7,10,16,20H,8-9,19H2,1H3
InChIKeySIJQYMPGESYQNW-UHFFFAOYSA-N
MW337.24 g/mol
LogP3.51
Rot. Bonds5

About [1-(3-bromo-5-fluorophenyl)-3-(4-methylphenyl)propan-2-yl]hydrazine

[1-(3-bromo-5-fluorophenyl)-3-(4-methylphenyl)propan-2-yl]hydrazine (PubChem CID 105211313) has the molecular formula C16H18BrFN2 and a molecular weight of 337.24 g/mol. Its IUPAC name is [1-(3-bromo-5-fluorophenyl)-3-(4-methylphenyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-5-fluorophenyl)-3-(4-methylphenyl)propan-2-yl]hydrazine
PubChem CID105211313
Molecular FormulaC16H18BrFN2
Molecular Weight337.24 g/mol
Exact Mass336.06
IUPAC Name[1-(3-bromo-5-fluorophenyl)-3-(4-methylphenyl)propan-2-yl]hydrazine
SMILESCc1ccc(CC(Cc2cc(F)cc(Br)c2)NN)cc1
InChIInChI=1S/C16H18BrFN2/c1-11-2-4-12(5-3-11)8-16(20-19)9-13-6-14(17)10-15(18)7-13/h2-7,10,16,20H,8-9,19H2,1H3
InChIKeySIJQYMPGESYQNW-UHFFFAOYSA-N
XLogP3.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 53.51
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-bromo-5-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-yl]hydrazine
CID 105324738
[1-(3,5-dimethylphenyl)-3-(4-fluorophenyl)propan-2-yl]hydrazine
CID 105198260
[1-(3-bromo-5-fluorophenyl)-3-methylsulfonylpropan-2-yl]hydrazine
CID 105324883
[2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethyl]hydrazine
CID 105324778
[1-(3-bromo-5-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-yl]hydrazine
CID 103560538
[1-(3-bromo-5-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine
CID 105324889
[1-(3-bromo-5-fluorophenyl)-3-cycloheptylpropan-2-yl]hydrazine
CID 105324755
[1-(3-bromo-5-fluorophenyl)-3-(2-bromophenyl)sulfanylpropan-2-yl]hydrazine
CID 105238111
[1-(3-bromo-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine
CID 103477886
[2-(3-bromo-5-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethyl]hydrazine
CID 105324860
[1-(3-bromo-5-fluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine
CID 105274397
[1-(4-bromo-2-chlorophenyl)-3-(3,5-difluorophenyl)propan-2-yl]hydrazine
CID 105206721

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-5-fluorophenyl)-3-(4-methylphenyl)propan-2-yl]hydrazine?
The IUPAC name of [1-(3-bromo-5-fluorophenyl)-3-(4-methylphenyl)propan-2-yl]hydrazine (CID 105211313) is [1-(3-bromo-5-fluorophenyl)-3-(4-methylphenyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-bromo-5-fluorophenyl)-3-(4-methylphenyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(3-bromo-5-fluorophenyl)-3-(4-methylphenyl)propan-2-yl]hydrazine is Cc1ccc(CC(Cc2cc(F)cc(Br)c2)NN)cc1.
What is the InChIKey of [1-(3-bromo-5-fluorophenyl)-3-(4-methylphenyl)propan-2-yl]hydrazine?
The InChIKey is SIJQYMPGESYQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2/c1-11-2-4-12(5-3-11)8-16(20-19)9-13-6-14(17)10-15(18)7-13/h2-7,10,16,20H,8-9,19H2,1H3.
What are the key properties of [1-(3-bromo-5-fluorophenyl)-3-(4-methylphenyl)propan-2-yl]hydrazine?
[1-(3-bromo-5-fluorophenyl)-3-(4-methylphenyl)propan-2-yl]hydrazine has a molecular weight of 337.24 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-5-fluorophenyl)-3-(4-methylphenyl)propan-2-yl]hydrazine is sourced from PubChem (CID 105211313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).