[2-(2-bromophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]hydrazine

C16H17BrN2O2 — CID 105215012

IUPAC[2-(2-bromophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]hydrazine
SMILESNNC(Cc1ccccc1Br)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H17BrN2O2/c17-13-4-2-1-3-11(13)9-14(19-18)12-5-6-15-16(10-12)21-8-7-20-15/h1-6,10,14,19H,7-9,18H2
InChIKeyMNLPMAMBZOXXKZ-UHFFFAOYSA-N
MW349.23 g/mol
LogP2.97
Rot. Bonds4

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

[2-(2-bromophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]hydrazine (PubChem CID 105215012) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is [2-(2-bromophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-bromophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]hydrazine
PubChem CID105215012
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name[2-(2-bromophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]hydrazine
SMILESNNC(Cc1ccccc1Br)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H17BrN2O2/c17-13-4-2-1-3-11(13)9-14(19-18)12-5-6-15-16(10-12)21-8-7-20-15/h1-6,10,14,19H,7-9,18H2
InChIKeyMNLPMAMBZOXXKZ-UHFFFAOYSA-N
XLogP2.97
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.97
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

[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-ylethyl]hydrazine
CID 105211958
[2-(2-bromophenyl)-1-(3-iodophenyl)ethyl]hydrazine
CID 105283862
[1-(3-bromo-4-methoxyphenyl)-2-(2-bromophenyl)ethyl]hydrazine
CID 105283965
[2-(2-bromophenyl)-1-(3,5-difluorophenyl)ethyl]hydrazine
CID 105207988
[2-(2-bromophenyl)-1-(furan-3-yl)ethyl]hydrazine
CID 105215016
[2-(2-bromophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]hydrazine
CID 107504978
[2-(2-bromophenyl)-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine
CID 105214990
[2-(2-bromophenyl)-1-pyrimidin-5-ylethyl]hydrazine
CID 105214865
[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyridin-3-ylethyl]hydrazine
CID 105212034
6-[(2-bromophenyl)methylsulfanyl]-2,3-dihydro-1,4-benzodioxine
CID 78906295
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-3-methylbutyl]hydrazine
CID 103025276
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propylsulfanylethyl]hydrazine
CID 105225854

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]hydrazine?
The IUPAC name of [2-(2-bromophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]hydrazine (CID 105215012) is [2-(2-bromophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(2-bromophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]hydrazine?
The canonical SMILES for [2-(2-bromophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]hydrazine is NNC(Cc1ccccc1Br)c1ccc2c(c1)OCCO2.
What is the InChIKey of [2-(2-bromophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]hydrazine?
The InChIKey is MNLPMAMBZOXXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c17-13-4-2-1-3-11(13)9-14(19-18)12-5-6-15-16(10-12)21-8-7-20-15/h1-6,10,14,19H,7-9,18H2.
What are the key properties of [2-(2-bromophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]hydrazine?
[2-(2-bromophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]hydrazine has a molecular weight of 349.23 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]hydrazine is sourced from PubChem (CID 105215012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).