[1-(3-bromophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine

C17H19BrN2O — CID 105198169

IUPAC[1-(3-bromophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine
SMILESNNC(CC1CCOc2ccccc21)c1cccc(Br)c1
InChIInChI=1S/C17H19BrN2O/c18-14-5-3-4-13(10-14)16(20-19)11-12-8-9-21-17-7-2-1-6-15(12)17/h1-7,10,12,16,20H,8-9,11,19H2
InChIKeySXWAWARNCLIGHW-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.91
Rot. Bonds4

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

[1-(3-bromophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine (PubChem CID 105198169) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is [1-(3-bromophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine
PubChem CID105198169
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name[1-(3-bromophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine
SMILESNNC(CC1CCOc2ccccc21)c1cccc(Br)c1
InChIInChI=1S/C17H19BrN2O/c18-14-5-3-4-13(10-14)16(20-19)11-12-8-9-21-17-7-2-1-6-15(12)17/h1-7,10,12,16,20H,8-9,11,19H2
InChIKeySXWAWARNCLIGHW-UHFFFAOYSA-N
XLogP3.91
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(4-bromothiophen-2-yl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine
CID 105222674
[2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine
CID 105333606
[1-(6-chloro-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine
CID 105253220
[1-(3-bromophenyl)-2-cyclohexylethyl]hydrazine
CID 105197948
[2-(3,4-dihydro-2H-chromen-4-yl)-1-(4,5-dimethylthiophen-2-yl)ethyl]hydrazine
CID 105333561
1-(5-bromo-2-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 115831877
4-bromo-2-(3,4-dihydro-2H-chromen-4-ylmethylsulfanyl)aniline
CID 104768656
[2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105333585
1-(4-aminophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 106695578
2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-pyridin-3-ylethanamine
CID 104770146
1-(3-bromo-4-chlorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 104770573
1-(4-bromo-3-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 105034368

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine?
The IUPAC name of [1-(3-bromophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine (CID 105198169) is [1-(3-bromophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(3-bromophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine?
The canonical SMILES for [1-(3-bromophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine is NNC(CC1CCOc2ccccc21)c1cccc(Br)c1.
What is the InChIKey of [1-(3-bromophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine?
The InChIKey is SXWAWARNCLIGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c18-14-5-3-4-13(10-14)16(20-19)11-12-8-9-21-17-7-2-1-6-15(12)17/h1-7,10,12,16,20H,8-9,11,19H2.
What are the key properties of [1-(3-bromophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine?
[1-(3-bromophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine has a molecular weight of 347.26 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105198169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).