[(3-bromo-2-methylphenyl)-(2-phenylcyclopropyl)methyl]hydrazine

C17H19BrN2 — CID 105341547

IUPAC[(3-bromo-2-methylphenyl)-(2-phenylcyclopropyl)methyl]hydrazine
SMILESCc1c(Br)cccc1C(NN)C1CC1c1ccccc1
InChIInChI=1S/C17H19BrN2/c1-11-13(8-5-9-16(11)18)17(20-19)15-10-14(15)12-6-3-2-4-7-12/h2-9,14-15,17,20H,10,19H2,1H3
InChIKeyXGVWROZZHVWNNK-UHFFFAOYSA-N
MW331.26 g/mol
LogP4.07
Rot. Bonds4

About [(3-bromo-2-methylphenyl)-(2-phenylcyclopropyl)methyl]hydrazine

[(3-bromo-2-methylphenyl)-(2-phenylcyclopropyl)methyl]hydrazine (PubChem CID 105341547) has the molecular formula C17H19BrN2 and a molecular weight of 331.26 g/mol. Its IUPAC name is [(3-bromo-2-methylphenyl)-(2-phenylcyclopropyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-2-methylphenyl)-(2-phenylcyclopropyl)methyl]hydrazine
PubChem CID105341547
Molecular FormulaC17H19BrN2
Molecular Weight331.26 g/mol
Exact Mass330.07
IUPAC Name[(3-bromo-2-methylphenyl)-(2-phenylcyclopropyl)methyl]hydrazine
SMILESCc1c(Br)cccc1C(NN)C1CC1c1ccccc1
InChIInChI=1S/C17H19BrN2/c1-11-13(8-5-9-16(11)18)17(20-19)15-10-14(15)12-6-3-2-4-7-12/h2-9,14-15,17,20H,10,19H2,1H3
InChIKeyXGVWROZZHVWNNK-UHFFFAOYSA-N
XLogP4.07
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 54.07
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

[(3-bromo-2-chlorophenyl)-(2-phenylcyclopropyl)methyl]hydrazine
CID 105341539
[(2-chloro-3-fluorophenyl)-(2-phenylcyclopropyl)methyl]hydrazine
CID 105341508
[(2-chlorophenyl)-(2-phenylcyclopropyl)methyl]hydrazine
CID 105211221
[(2,3-dichlorophenyl)-(2-phenylcyclopropyl)methyl]hydrazine
CID 105301714
[(4-bromo-3-methylphenyl)-(2-phenylcyclopropyl)methyl]hydrazine
CID 105341455
[(2,4-dimethylphenyl)-(2-phenylcyclopropyl)methyl]hydrazine
CID 105304709
[(3-methylphenyl)-(2-phenylcyclopropyl)methyl]hydrazine
CID 105200887
[2-(2-bromophenyl)-1-(2-phenylcyclopropyl)ethyl]hydrazine
CID 105215061
(2-bromophenyl)-[(1R,2S)-2-phenylcyclopropyl]methanamine
CID 138039926
[(3-bromo-2-methylphenyl)-(3,4-dimethylcyclohexyl)methyl]hydrazine
CID 105312464
[(4-fluorophenyl)-(2-phenylcyclopropyl)methyl]hydrazine
CID 105192881
[(5-methylfuran-3-yl)-(2-phenylcyclopropyl)methyl]hydrazine
CID 105341521

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-2-methylphenyl)-(2-phenylcyclopropyl)methyl]hydrazine?
The IUPAC name of [(3-bromo-2-methylphenyl)-(2-phenylcyclopropyl)methyl]hydrazine (CID 105341547) is [(3-bromo-2-methylphenyl)-(2-phenylcyclopropyl)methyl]hydrazine.
What is the SMILES notation for [(3-bromo-2-methylphenyl)-(2-phenylcyclopropyl)methyl]hydrazine?
The canonical SMILES for [(3-bromo-2-methylphenyl)-(2-phenylcyclopropyl)methyl]hydrazine is Cc1c(Br)cccc1C(NN)C1CC1c1ccccc1.
What is the InChIKey of [(3-bromo-2-methylphenyl)-(2-phenylcyclopropyl)methyl]hydrazine?
The InChIKey is XGVWROZZHVWNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2/c1-11-13(8-5-9-16(11)18)17(20-19)15-10-14(15)12-6-3-2-4-7-12/h2-9,14-15,17,20H,10,19H2,1H3.
What are the key properties of [(3-bromo-2-methylphenyl)-(2-phenylcyclopropyl)methyl]hydrazine?
[(3-bromo-2-methylphenyl)-(2-phenylcyclopropyl)methyl]hydrazine has a molecular weight of 331.26 g/mol, XLogP of 4.07, 4 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-phenylcyclopropyl)methyl]hydrazine is sourced from PubChem (CID 105341547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).