[(5-bromo-2-methylphenyl)-naphthalen-1-ylmethyl]hydrazine

C18H17BrN2 — CID 105301219

IUPAC[(5-bromo-2-methylphenyl)-naphthalen-1-ylmethyl]hydrazine
SMILESCc1ccc(Br)cc1C(NN)c1cccc2ccccc12
InChIInChI=1S/C18H17BrN2/c1-12-9-10-14(19)11-17(12)18(21-20)16-8-4-6-13-5-2-3-7-15(13)16/h2-11,18,21H,20H2,1H3
InChIKeyXZZKMYAFQIZHCX-UHFFFAOYSA-N
MW341.25 g/mol
LogP4.46
Rot. Bonds3

About [(5-bromo-2-methylphenyl)-naphthalen-1-ylmethyl]hydrazine

[(5-bromo-2-methylphenyl)-naphthalen-1-ylmethyl]hydrazine (PubChem CID 105301219) has the molecular formula C18H17BrN2 and a molecular weight of 341.25 g/mol. Its IUPAC name is [(5-bromo-2-methylphenyl)-naphthalen-1-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(5-bromo-2-methylphenyl)-naphthalen-1-ylmethyl]hydrazine
PubChem CID105301219
Molecular FormulaC18H17BrN2
Molecular Weight341.25 g/mol
Exact Mass340.06
IUPAC Name[(5-bromo-2-methylphenyl)-naphthalen-1-ylmethyl]hydrazine
SMILESCc1ccc(Br)cc1C(NN)c1cccc2ccccc12
InChIInChI=1S/C18H17BrN2/c1-12-9-10-14(19)11-17(12)18(21-20)16-8-4-6-13-5-2-3-7-15(13)16/h2-11,18,21H,20H2,1H3
InChIKeyXZZKMYAFQIZHCX-UHFFFAOYSA-N
XLogP4.46
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 54.46
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

[(5-bromo-2-methylphenyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105304800
[(4-bromophenyl)-naphthalen-1-ylmethyl]hydrazine
CID 105192517
[(4-bromo-2-methylphenyl)-isoquinolin-4-ylmethyl]hydrazine
CID 105306340
[(5-bromo-2-methylphenyl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105286710
[(2,5-dibromothiophen-3-yl)-naphthalen-1-ylmethyl]hydrazine
CID 107970229
[(2,6-dimethyl-4-pyridinyl)-naphthalen-1-ylmethyl]hydrazine
CID 107505109
[(2-methylfuran-3-yl)-naphthalen-1-ylmethyl]hydrazine
CID 105269167
[(2,5-dimethylphenyl)-isoquinolin-4-ylmethyl]hydrazine
CID 105306387
(2,5-dibromophenyl)-naphthalen-1-ylmethanamine
CID 43108974
[(3-bromophenyl)-(2,5-dimethylphenyl)methyl]hydrazine
CID 105197981
[(5-bromo-2-fluorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105280719
N-[(5-bromo-2-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 115792512

Frequently Asked Questions

What is the IUPAC name of [(5-bromo-2-methylphenyl)-naphthalen-1-ylmethyl]hydrazine?
The IUPAC name of [(5-bromo-2-methylphenyl)-naphthalen-1-ylmethyl]hydrazine (CID 105301219) is [(5-bromo-2-methylphenyl)-naphthalen-1-ylmethyl]hydrazine.
What is the SMILES notation for [(5-bromo-2-methylphenyl)-naphthalen-1-ylmethyl]hydrazine?
The canonical SMILES for [(5-bromo-2-methylphenyl)-naphthalen-1-ylmethyl]hydrazine is Cc1ccc(Br)cc1C(NN)c1cccc2ccccc12.
What is the InChIKey of [(5-bromo-2-methylphenyl)-naphthalen-1-ylmethyl]hydrazine?
The InChIKey is XZZKMYAFQIZHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2/c1-12-9-10-14(19)11-17(12)18(21-20)16-8-4-6-13-5-2-3-7-15(13)16/h2-11,18,21H,20H2,1H3.
What are the key properties of [(5-bromo-2-methylphenyl)-naphthalen-1-ylmethyl]hydrazine?
[(5-bromo-2-methylphenyl)-naphthalen-1-ylmethyl]hydrazine has a molecular weight of 341.25 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-bromo-2-methylphenyl)-naphthalen-1-ylmethyl]hydrazine is sourced from PubChem (CID 105301219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).