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

C16H18N2O2 — CID 105200833

IUPAC[2,3-dihydro-1,4-benzodioxin-6-yl-(3-methylphenyl)methyl]hydrazine
SMILESCc1cccc(C(NN)c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C16H18N2O2/c1-11-3-2-4-12(9-11)16(18-17)13-5-6-14-15(10-13)20-8-7-19-14/h2-6,9-10,16,18H,7-8,17H2,1H3
InChIKeyOPPSYMQFBXFQRA-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.32
Rot. Bonds3

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

[2,3-dihydro-1,4-benzodioxin-6-yl-(3-methylphenyl)methyl]hydrazine (PubChem CID 105200833) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is [2,3-dihydro-1,4-benzodioxin-6-yl-(3-methylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[2,3-dihydro-1,4-benzodioxin-6-yl-(3-methylphenyl)methyl]hydrazine
PubChem CID105200833
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name[2,3-dihydro-1,4-benzodioxin-6-yl-(3-methylphenyl)methyl]hydrazine
SMILESCc1cccc(C(NN)c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C16H18N2O2/c1-11-3-2-4-12(9-11)16(18-17)13-5-6-14-15(10-13)20-8-7-19-14/h2-6,9-10,16,18H,7-8,17H2,1H3
InChIKeyOPPSYMQFBXFQRA-UHFFFAOYSA-N
XLogP2.32
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.32
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

[(3-bromo-5-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 105300978
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 43482090
[(2-bromo-5-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 105301067
[(3-bromo-4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 105261083
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(S)-(3-methylphenyl)-phenylmethyl]thiourea
CID 100727132
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1-phenylmethanamine
CID 43481511
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-(3-methylphenyl)ethanamine
CID 115478390
[(3-chloro-2-fluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 105223458
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3-iodophenyl)-N-methylmethanamine
CID 43483287
1-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine
CID 106857438
[(3-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 103408542
[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-3-pyridinyl)methyl]hydrazine
CID 105302915

Frequently Asked Questions

What is the IUPAC name of [2,3-dihydro-1,4-benzodioxin-6-yl-(3-methylphenyl)methyl]hydrazine?
The IUPAC name of [2,3-dihydro-1,4-benzodioxin-6-yl-(3-methylphenyl)methyl]hydrazine (CID 105200833) is [2,3-dihydro-1,4-benzodioxin-6-yl-(3-methylphenyl)methyl]hydrazine.
What is the SMILES notation for [2,3-dihydro-1,4-benzodioxin-6-yl-(3-methylphenyl)methyl]hydrazine?
The canonical SMILES for [2,3-dihydro-1,4-benzodioxin-6-yl-(3-methylphenyl)methyl]hydrazine is Cc1cccc(C(NN)c2ccc3c(c2)OCCO3)c1.
What is the InChIKey of [2,3-dihydro-1,4-benzodioxin-6-yl-(3-methylphenyl)methyl]hydrazine?
The InChIKey is OPPSYMQFBXFQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-3-2-4-12(9-11)16(18-17)13-5-6-14-15(10-13)20-8-7-19-14/h2-6,9-10,16,18H,7-8,17H2,1H3.
What are the key properties of [2,3-dihydro-1,4-benzodioxin-6-yl-(3-methylphenyl)methyl]hydrazine?
[2,3-dihydro-1,4-benzodioxin-6-yl-(3-methylphenyl)methyl]hydrazine has a molecular weight of 270.33 g/mol, XLogP of 2.32, 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-6-yl-(3-methylphenyl)methyl]hydrazine is sourced from PubChem (CID 105200833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).