[(2-bromo-5-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine

C16H17BrN2O2 — CID 105301067

IUPAC[(2-bromo-5-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
SMILESCc1ccc(Br)c(C(NN)c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C16H17BrN2O2/c1-10-2-4-13(17)12(8-10)16(19-18)11-3-5-14-15(9-11)21-7-6-20-14/h2-5,8-9,16,19H,6-7,18H2,1H3
InChIKeyNXTJZCZBTPFLDK-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.08
Rot. Bonds3

About [(2-bromo-5-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine

[(2-bromo-5-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine (PubChem CID 105301067) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is [(2-bromo-5-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-bromo-5-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
PubChem CID105301067
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name[(2-bromo-5-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
SMILESCc1ccc(Br)c(C(NN)c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C16H17BrN2O2/c1-10-2-4-13(17)12(8-10)16(19-18)11-3-5-14-15(9-11)21-7-6-20-14/h2-5,8-9,16,19H,6-7,18H2,1H3
InChIKeyNXTJZCZBTPFLDK-UHFFFAOYSA-N
XLogP3.08
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.08
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-6-yl-(3-methylphenyl)methyl]hydrazine
CID 105200833
[(3-bromo-5-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 105300978
7-[(2-bromo-5-methylphenyl)-chloromethyl]-3,4-dihydro-2H-1,5-benzodioxepine
CID 81111855
[(3-bromo-4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 105261083
[(2,4-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 105216684
[(2-bromo-5-methylphenyl)-(4-cyclopropyloxyphenyl)methyl]hydrazine
CID 105341051
[(2-bromo-5-methylphenyl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105313361
1-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine
CID 106857438
[(2-chloro-5-fluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 105398142
[2,3-dihydro-1-benzofuran-5-yl-(2-methoxy-4-methylphenyl)methyl]hydrazine
CID 106794016
[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-3-pyridinyl)methyl]hydrazine
CID 105302915
[(2,5-dibromophenyl)-(3-methylphenyl)methyl]hydrazine
CID 105284904

Frequently Asked Questions

What is the IUPAC name of [(2-bromo-5-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine?
The IUPAC name of [(2-bromo-5-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine (CID 105301067) is [(2-bromo-5-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine.
What is the SMILES notation for [(2-bromo-5-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine?
The canonical SMILES for [(2-bromo-5-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine is Cc1ccc(Br)c(C(NN)c2ccc3c(c2)OCCO3)c1.
What is the InChIKey of [(2-bromo-5-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine?
The InChIKey is NXTJZCZBTPFLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-10-2-4-13(17)12(8-10)16(19-18)11-3-5-14-15(9-11)21-7-6-20-14/h2-5,8-9,16,19H,6-7,18H2,1H3.
What are the key properties of [(2-bromo-5-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine?
[(2-bromo-5-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine has a molecular weight of 349.23 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-bromo-5-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine is sourced from PubChem (CID 105301067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).