[1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-(furan-2-yl)butan-2-yl]hydrazine

C16H19BrN2O2 — CID 105332479

IUPAC[1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-(furan-2-yl)butan-2-yl]hydrazine
SMILESNNC(CCc1ccco1)Cc1cc(Br)cc2c1OCC2
InChIInChI=1S/C16H19BrN2O2/c17-13-8-11-5-7-21-16(11)12(9-13)10-14(19-18)3-4-15-2-1-6-20-15/h1-2,6,8-9,14,19H,3-5,7,10,18H2
InChIKeyILOPHNGRLNVQQI-UHFFFAOYSA-N
MW351.24 g/mol
LogP2.98
Rot. Bonds6

About [1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-(furan-2-yl)butan-2-yl]hydrazine

[1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-(furan-2-yl)butan-2-yl]hydrazine (PubChem CID 105332479) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is [1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-(furan-2-yl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-(furan-2-yl)butan-2-yl]hydrazine
PubChem CID105332479
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name[1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-(furan-2-yl)butan-2-yl]hydrazine
SMILESNNC(CCc1ccco1)Cc1cc(Br)cc2c1OCC2
InChIInChI=1S/C16H19BrN2O2/c17-13-8-11-5-7-21-16(11)12(9-13)10-14(19-18)3-4-15-2-1-6-20-15/h1-2,6,8-9,14,19H,3-5,7,10,18H2
InChIKeyILOPHNGRLNVQQI-UHFFFAOYSA-N
XLogP2.98
TPSA60.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 52.98
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-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)pent-4-en-2-ylhydrazine
CID 105269841
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-(furan-2-yl)butan-2-amine
CID 105178397
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-(furan-2-yl)propanamide
CID 104702793
[1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4,5,5-trimethylhexan-2-yl]hydrazine
CID 105332536
[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2-methylfuran-3-yl)ethyl]hydrazine
CID 105269234
[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethyl]hydrazine
CID 105194509
[1-(2,5-difluorophenyl)-4-(furan-2-yl)butan-2-yl]hydrazine
CID 105288848
[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethyl]hydrazine
CID 105204527
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-5-thiophen-2-ylpentan-2-amine
CID 105178514
[1-(5-fluoro-2-methylphenyl)-4-(furan-2-yl)butan-2-yl]hydrazine
CID 105378016
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-4-methylsulfanylbutan-2-amine
CID 105178541
[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(6-methyl-2-pyridinyl)ethyl]hydrazine
CID 105219279

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-(furan-2-yl)butan-2-yl]hydrazine?
The IUPAC name of [1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-(furan-2-yl)butan-2-yl]hydrazine (CID 105332479) is [1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-(furan-2-yl)butan-2-yl]hydrazine.
What is the SMILES notation for [1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-(furan-2-yl)butan-2-yl]hydrazine?
The canonical SMILES for [1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-(furan-2-yl)butan-2-yl]hydrazine is NNC(CCc1ccco1)Cc1cc(Br)cc2c1OCC2.
What is the InChIKey of [1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-(furan-2-yl)butan-2-yl]hydrazine?
The InChIKey is ILOPHNGRLNVQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c17-13-8-11-5-7-21-16(11)12(9-13)10-14(19-18)3-4-15-2-1-6-20-15/h1-2,6,8-9,14,19H,3-5,7,10,18H2.
What are the key properties of [1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-(furan-2-yl)butan-2-yl]hydrazine?
[1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-(furan-2-yl)butan-2-yl]hydrazine has a molecular weight of 351.24 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-(furan-2-yl)butan-2-yl]hydrazine is sourced from PubChem (CID 105332479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).