[(3-bromo-2-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]hydrazine

C17H19BrN2 — CID 114195253

IUPAC[(3-bromo-2-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]hydrazine
SMILESCc1c(Br)cccc1C(NN)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H19BrN2/c1-11-15(6-3-7-16(11)18)17(20-19)14-9-8-12-4-2-5-13(12)10-14/h3,6-10,17,20H,2,4-5,19H2,1H3
InChIKeyMCVUDLJDRJYXPT-UHFFFAOYSA-N
MW331.26 g/mol
LogP3.80
Rot. Bonds3

About [(3-bromo-2-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]hydrazine

[(3-bromo-2-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]hydrazine (PubChem CID 114195253) has the molecular formula C17H19BrN2 and a molecular weight of 331.26 g/mol. Its IUPAC name is [(3-bromo-2-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-2-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]hydrazine
PubChem CID114195253
Molecular FormulaC17H19BrN2
Molecular Weight331.26 g/mol
Exact Mass330.07
IUPAC Name[(3-bromo-2-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]hydrazine
SMILESCc1c(Br)cccc1C(NN)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H19BrN2/c1-11-15(6-3-7-16(11)18)17(20-19)14-9-8-12-4-2-5-13(12)10-14/h3,6-10,17,20H,2,4-5,19H2,1H3
InChIKeyMCVUDLJDRJYXPT-UHFFFAOYSA-N
XLogP3.80
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

[2,3-dihydro-1H-inden-5-yl-(2,6-dimethylphenyl)methyl]hydrazine
CID 114195251
[(3-bromo-2-methylphenyl)-(3,4-dimethylphenyl)methyl]hydrazine
CID 105300284
[(2-bromo-5-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]hydrazine
CID 114195282
[(3-bromo-2-methylphenyl)-(3-cyclobutylphenyl)methyl]hydrazine
CID 105342034
[2,3-dihydro-1H-inden-5-yl-(2-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105329340
1-(3-bromo-2-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115864882
(2-bromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43115600
(2-bromo-3-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
CID 107983332
[(2,5-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]hydrazine
CID 105303372
[2,3-dihydro-1H-inden-5-yl-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine
CID 106884532
[2,3-dihydro-1H-inden-5-yl-(4-iodophenyl)methyl]hydrazine
CID 114195243
[2,3-dihydro-1H-inden-5-yl(furan-3-yl)methyl]hydrazine
CID 105305866

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-2-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]hydrazine?
The IUPAC name of [(3-bromo-2-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]hydrazine (CID 114195253) is [(3-bromo-2-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]hydrazine.
What is the SMILES notation for [(3-bromo-2-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]hydrazine?
The canonical SMILES for [(3-bromo-2-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]hydrazine is Cc1c(Br)cccc1C(NN)c1ccc2c(c1)CCC2.
What is the InChIKey of [(3-bromo-2-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]hydrazine?
The InChIKey is MCVUDLJDRJYXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2/c1-11-15(6-3-7-16(11)18)17(20-19)14-9-8-12-4-2-5-13(12)10-14/h3,6-10,17,20H,2,4-5,19H2,1H3.
What are the key properties of [(3-bromo-2-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]hydrazine?
[(3-bromo-2-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]hydrazine has a molecular weight of 331.26 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromo-2-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]hydrazine is sourced from PubChem (CID 114195253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).