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

C16H17BrN2O2 — CID 105300978

IUPAC[(3-bromo-5-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
SMILESCc1cc(Br)cc(C(NN)c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C16H17BrN2O2/c1-10-6-12(8-13(17)7-10)16(19-18)11-2-3-14-15(9-11)21-5-4-20-14/h2-3,6-9,16,19H,4-5,18H2,1H3
InChIKeyRLNCBUDPVBOSNM-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.08
Rot. Bonds3

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

[(3-bromo-5-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine (PubChem CID 105300978) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is [(3-bromo-5-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-5-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
PubChem CID105300978
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name[(3-bromo-5-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
SMILESCc1cc(Br)cc(C(NN)c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C16H17BrN2O2/c1-10-6-12(8-13(17)7-10)16(19-18)11-2-3-14-15(9-11)21-5-4-20-14/h2-3,6-9,16,19H,4-5,18H2,1H3
InChIKeyRLNCBUDPVBOSNM-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2,3-dihydro-1,4-benzodioxin-6-yl-(3-methylphenyl)methyl]hydrazine
CID 105200833
(3-bromo-5-methylphenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanamine
CID 104851088
[(2-bromo-5-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 105301067
[(3-bromo-5-methylphenyl)-(3-methylphenyl)methyl]hydrazine
CID 105284831
[(3-bromo-4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 105261083
[(4-bromophenyl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105192528
[(3-bromo-5-methylphenyl)-(3-fluorophenyl)methyl]hydrazine
CID 105285496
[(3-bromo-5-methylphenyl)-(4-chloro-3-methoxyphenyl)methyl]hydrazine
CID 105320733
1-(4-bromo-2-methylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine
CID 43629800
[(3-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 103408542
[(3-bromothiophen-2-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydrazine
CID 105302932
[(4,5-dibromothiophen-2-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydrazine
CID 105302953

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-5-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine?
The IUPAC name of [(3-bromo-5-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine (CID 105300978) is [(3-bromo-5-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine.
What is the SMILES notation for [(3-bromo-5-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine?
The canonical SMILES for [(3-bromo-5-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine is Cc1cc(Br)cc(C(NN)c2ccc3c(c2)OCCO3)c1.
What is the InChIKey of [(3-bromo-5-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine?
The InChIKey is RLNCBUDPVBOSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-10-6-12(8-13(17)7-10)16(19-18)11-2-3-14-15(9-11)21-5-4-20-14/h2-3,6-9,16,19H,4-5,18H2,1H3.
What are the key properties of [(3-bromo-5-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine?
[(3-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 [(3-bromo-5-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine is sourced from PubChem (CID 105300978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).