1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-phenylhydrazine

C17H20N2O — CID 169385560

IUPAC1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-phenylhydrazine
SMILESCC1(C)Cc2cc(CNNc3ccccc3)ccc2O1
InChIInChI=1S/C17H20N2O/c1-17(2)11-14-10-13(8-9-16(14)20-17)12-18-19-15-6-4-3-5-7-15/h3-10,18-19H,11-12H2,1-2H3
InChIKeyGSBLCSANQHUYOV-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.52
Rot. Bonds4

About 1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-phenylhydrazine

1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-phenylhydrazine (PubChem CID 169385560) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-phenylhydrazine
PubChem CID169385560
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-phenylhydrazine
SMILESCC1(C)Cc2cc(CNNc3ccccc3)ccc2O1
InChIInChI=1S/C17H20N2O/c1-17(2)11-14-10-13(8-9-16(14)20-17)12-18-19-15-6-4-3-5-7-15/h3-10,18-19H,11-12H2,1-2H3
InChIKeyGSBLCSANQHUYOV-UHFFFAOYSA-N
XLogP3.52
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]hydroxylamine
CID 82684913
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylpropan-2-amine
CID 63270797
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-fluoroaniline
CID 63270710
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine
CID 63270798
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methoxyaniline
CID 63271150
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylsulfanylethanamine
CID 63378459
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylbutan-2-amine
CID 55168156
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2,2,2-trifluoroethanamine
CID 63270799
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,3-dimethylbutan-1-amine
CID 115614218
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylbut-3-yn-2-amine
CID 63999911
3-benzylsulfonyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine
CID 119121928
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]but-3-en-2-amine
CID 113254593

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-phenylhydrazine?
The IUPAC name of 1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-phenylhydrazine (CID 169385560) is 1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-phenylhydrazine?
The canonical SMILES for 1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-phenylhydrazine is CC1(C)Cc2cc(CNNc3ccccc3)ccc2O1.
What is the InChIKey of 1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-phenylhydrazine?
The InChIKey is GSBLCSANQHUYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-17(2)11-14-10-13(8-9-16(14)20-17)12-18-19-15-6-4-3-5-7-15/h3-10,18-19H,11-12H2,1-2H3.
What are the key properties of 1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-phenylhydrazine?
1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-phenylhydrazine has a molecular weight of 268.36 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-phenylhydrazine is sourced from PubChem (CID 169385560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).