[(4-bromo-3-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine

C17H17BrN2O — CID 105338351

IUPAC[(4-bromo-3-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine
SMILESCc1cc(C(NN)c2cc3cccc(C)c3o2)ccc1Br
InChIInChI=1S/C17H17BrN2O/c1-10-4-3-5-13-9-15(21-17(10)13)16(20-19)12-6-7-14(18)11(2)8-12/h3-9,16,20H,19H2,1-2H3
InChIKeySNROLYVYPDPZTL-UHFFFAOYSA-N
MW345.24 g/mol
LogP4.36
Rot. Bonds3

About [(4-bromo-3-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine

[(4-bromo-3-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine (PubChem CID 105338351) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is [(4-bromo-3-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-3-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine
PubChem CID105338351
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name[(4-bromo-3-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine
SMILESCc1cc(C(NN)c2cc3cccc(C)c3o2)ccc1Br
InChIInChI=1S/C17H17BrN2O/c1-10-4-3-5-13-9-15(21-17(10)13)16(20-19)12-6-7-14(18)11(2)8-12/h3-9,16,20H,19H2,1-2H3
InChIKeySNROLYVYPDPZTL-UHFFFAOYSA-N
XLogP4.36
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 54.36
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

[(7-methyl-1-benzofuran-2-yl)-pyridin-4-ylmethyl]hydrazine
CID 105196376
1-(4-bromo-3-methylphenyl)-1-(7-chloro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105048574
[(2-bromo-3-methylphenyl)-(7-chloro-1-benzofuran-2-yl)methyl]hydrazine
CID 107986198
[(7-methyl-1-benzofuran-2-yl)-(2-methylfuran-3-yl)methyl]hydrazine
CID 105268934
[1-benzofuran-2-yl-(3-bromo-4-methylphenyl)methyl]hydrazine
CID 105337744
(3-bromophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 112614663
[(7-fluoro-1-benzofuran-2-yl)-(3-methylphenyl)methyl]hydrazine
CID 105200864
[(7-methyl-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]hydrazine
CID 105338371
[(6-methoxypyridazin-3-yl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 103375494
1-(4-iodophenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105045524
[(7-methyl-1-benzofuran-2-yl)-(1-methylimidazol-4-yl)methyl]hydrazine
CID 114023468
1-(4-bromo-3-methylphenyl)ethylhydrazine
CID 53402303

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-3-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine?
The IUPAC name of [(4-bromo-3-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine (CID 105338351) is [(4-bromo-3-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-3-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-3-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine is Cc1cc(C(NN)c2cc3cccc(C)c3o2)ccc1Br.
What is the InChIKey of [(4-bromo-3-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine?
The InChIKey is SNROLYVYPDPZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O/c1-10-4-3-5-13-9-15(21-17(10)13)16(20-19)12-6-7-14(18)11(2)8-12/h3-9,16,20H,19H2,1-2H3.
What are the key properties of [(4-bromo-3-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine?
[(4-bromo-3-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine has a molecular weight of 345.24 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-3-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine is sourced from PubChem (CID 105338351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).