[1-(2,3-difluoro-4-methylphenyl)-3-phenylpropyl]hydrazine

C16H18F2N2 — CID 107516336

IUPAC[1-(2,3-difluoro-4-methylphenyl)-3-phenylpropyl]hydrazine
SMILESCc1ccc(C(CCc2ccccc2)NN)c(F)c1F
InChIInChI=1S/C16H18F2N2/c1-11-7-9-13(16(18)15(11)17)14(20-19)10-8-12-5-3-2-4-6-12/h2-7,9,14,20H,8,10,19H2,1H3
InChIKeyKNQDRQGKGZGOEE-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.41
Rot. Bonds5

About [1-(2,3-difluoro-4-methylphenyl)-3-phenylpropyl]hydrazine

[1-(2,3-difluoro-4-methylphenyl)-3-phenylpropyl]hydrazine (PubChem CID 107516336) has the molecular formula C16H18F2N2 and a molecular weight of 276.33 g/mol. Its IUPAC name is [1-(2,3-difluoro-4-methylphenyl)-3-phenylpropyl]hydrazine.

Molecular Properties

Compound Name[1-(2,3-difluoro-4-methylphenyl)-3-phenylpropyl]hydrazine
PubChem CID107516336
Molecular FormulaC16H18F2N2
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name[1-(2,3-difluoro-4-methylphenyl)-3-phenylpropyl]hydrazine
SMILESCc1ccc(C(CCc2ccccc2)NN)c(F)c1F
InChIInChI=1S/C16H18F2N2/c1-11-7-9-13(16(18)15(11)17)14(20-19)10-8-12-5-3-2-4-6-12/h2-7,9,14,20H,8,10,19H2,1H3
InChIKeyKNQDRQGKGZGOEE-UHFFFAOYSA-N
XLogP3.41
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.41
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-(2,3-difluoro-4-methylphenyl)-3-(4-methylphenyl)propyl]hydrazine
CID 107516737
[1-(2,4-difluoro-5-methylphenyl)-3-phenylpropyl]hydrazine
CID 105285916
[1-(4-chloro-2-methylphenyl)-3-phenylpropyl]hydrazine
CID 114028417
[1-(2-iodo-3-methylphenyl)-3-phenylpropyl]hydrazine
CID 114030517
1-(2,3-difluoro-4-methylphenyl)propylhydrazine
CID 107516321
1-(2,3-difluoro-4-methylphenyl)-4-phenylbutan-1-ol
CID 107516181
[1-(2-chloro-4-fluorophenyl)-3-phenylpropyl]hydrazine
CID 105215295
[1-(2-fluoro-4,6-dimethylphenyl)-3-phenylpropyl]hydrazine
CID 106884252
[1-(2-fluoro-4-methylphenyl)-4-phenylbutyl]hydrazine
CID 105299781
[1-(2-chlorophenyl)-3-phenylpropyl]hydrazine
CID 105205580
1-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-phenylethanamine
CID 107513135
[1-(2,4-dichlorophenyl)-3-phenylpropyl]hydrazine
CID 105285831

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-difluoro-4-methylphenyl)-3-phenylpropyl]hydrazine?
The IUPAC name of [1-(2,3-difluoro-4-methylphenyl)-3-phenylpropyl]hydrazine (CID 107516336) is [1-(2,3-difluoro-4-methylphenyl)-3-phenylpropyl]hydrazine.
What is the SMILES notation for [1-(2,3-difluoro-4-methylphenyl)-3-phenylpropyl]hydrazine?
The canonical SMILES for [1-(2,3-difluoro-4-methylphenyl)-3-phenylpropyl]hydrazine is Cc1ccc(C(CCc2ccccc2)NN)c(F)c1F.
What is the InChIKey of [1-(2,3-difluoro-4-methylphenyl)-3-phenylpropyl]hydrazine?
The InChIKey is KNQDRQGKGZGOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2/c1-11-7-9-13(16(18)15(11)17)14(20-19)10-8-12-5-3-2-4-6-12/h2-7,9,14,20H,8,10,19H2,1H3.
What are the key properties of [1-(2,3-difluoro-4-methylphenyl)-3-phenylpropyl]hydrazine?
[1-(2,3-difluoro-4-methylphenyl)-3-phenylpropyl]hydrazine has a molecular weight of 276.33 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-difluoro-4-methylphenyl)-3-phenylpropyl]hydrazine is sourced from PubChem (CID 107516336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).