[2,3-dihydro-1,4-benzodioxin-3-yl-(5-fluoro-2-methylphenyl)methyl]hydrazine

C16H17FN2O2 — CID 105230157

IUPAC[2,3-dihydro-1,4-benzodioxin-3-yl-(5-fluoro-2-methylphenyl)methyl]hydrazine
SMILESCc1ccc(F)cc1C(NN)C1COc2ccccc2O1
InChIInChI=1S/C16H17FN2O2/c1-10-6-7-11(17)8-12(10)16(19-18)15-9-20-13-4-2-3-5-14(13)21-15/h2-8,15-16,19H,9,18H2,1H3
InChIKeyONKBVCRMWXUCSQ-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.48
Rot. Bonds3

About [2,3-dihydro-1,4-benzodioxin-3-yl-(5-fluoro-2-methylphenyl)methyl]hydrazine

[2,3-dihydro-1,4-benzodioxin-3-yl-(5-fluoro-2-methylphenyl)methyl]hydrazine (PubChem CID 105230157) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is [2,3-dihydro-1,4-benzodioxin-3-yl-(5-fluoro-2-methylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[2,3-dihydro-1,4-benzodioxin-3-yl-(5-fluoro-2-methylphenyl)methyl]hydrazine
PubChem CID105230157
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name[2,3-dihydro-1,4-benzodioxin-3-yl-(5-fluoro-2-methylphenyl)methyl]hydrazine
SMILESCc1ccc(F)cc1C(NN)C1COc2ccccc2O1
InChIInChI=1S/C16H17FN2O2/c1-10-6-7-11(17)8-12(10)16(19-18)15-9-20-13-4-2-3-5-14(13)21-15/h2-8,15-16,19H,9,18H2,1H3
InChIKeyONKBVCRMWXUCSQ-UHFFFAOYSA-N
XLogP2.48
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2,3-dihydro-1,4-benzodioxin-3-yl-(4-fluoro-2-methylphenyl)methanamine
CID 65352451
[(2,6-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methyl]hydrazine
CID 105230172
[2,3-dihydro-1,4-benzodioxin-3-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105230225
2,3-dihydro-1,4-benzodioxin-3-yl-(2,5-dimethylphenyl)methanamine
CID 43198601
3-[2,3-dihydro-1,4-benzodioxin-3-yl(hydrazinyl)methyl]pyridin-4-amine
CID 105230197
[(5-fluoro-2-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]hydrazine
CID 105234578
[(5-fluoro-2-methylphenyl)-(oxan-4-yl)methyl]hydrazine
CID 105211548
[2,3-dihydro-1,4-benzoxathiin-2-yl-(2,5-dimethylphenyl)methyl]hydrazine
CID 106602250
[(5-fluoro-2-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]hydrazine
CID 105218802
[7-bicyclo[4.1.0]heptanyl-(5-fluoro-2-methylphenyl)methyl]hydrazine
CID 105302216
2,3-dihydro-1,4-benzodioxin-3-yl-(3-fluoro-4-methylphenyl)methanol
CID 107128510
N,N'-bis[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]ethane-1,2-diamine
CID 3051001

Frequently Asked Questions

What is the IUPAC name of [2,3-dihydro-1,4-benzodioxin-3-yl-(5-fluoro-2-methylphenyl)methyl]hydrazine?
The IUPAC name of [2,3-dihydro-1,4-benzodioxin-3-yl-(5-fluoro-2-methylphenyl)methyl]hydrazine (CID 105230157) is [2,3-dihydro-1,4-benzodioxin-3-yl-(5-fluoro-2-methylphenyl)methyl]hydrazine.
What is the SMILES notation for [2,3-dihydro-1,4-benzodioxin-3-yl-(5-fluoro-2-methylphenyl)methyl]hydrazine?
The canonical SMILES for [2,3-dihydro-1,4-benzodioxin-3-yl-(5-fluoro-2-methylphenyl)methyl]hydrazine is Cc1ccc(F)cc1C(NN)C1COc2ccccc2O1.
What is the InChIKey of [2,3-dihydro-1,4-benzodioxin-3-yl-(5-fluoro-2-methylphenyl)methyl]hydrazine?
The InChIKey is ONKBVCRMWXUCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-10-6-7-11(17)8-12(10)16(19-18)15-9-20-13-4-2-3-5-14(13)21-15/h2-8,15-16,19H,9,18H2,1H3.
What are the key properties of [2,3-dihydro-1,4-benzodioxin-3-yl-(5-fluoro-2-methylphenyl)methyl]hydrazine?
[2,3-dihydro-1,4-benzodioxin-3-yl-(5-fluoro-2-methylphenyl)methyl]hydrazine has a molecular weight of 288.32 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dihydro-1,4-benzodioxin-3-yl-(5-fluoro-2-methylphenyl)methyl]hydrazine is sourced from PubChem (CID 105230157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).