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

C18H17BrN2 — CID 105301492

IUPAC[(3-bromo-5-methylphenyl)-naphthalen-2-ylmethyl]hydrazine
SMILESCc1cc(Br)cc(C(NN)c2ccc3ccccc3c2)c1
InChIInChI=1S/C18H17BrN2/c1-12-8-16(11-17(19)9-12)18(21-20)15-7-6-13-4-2-3-5-14(13)10-15/h2-11,18,21H,20H2,1H3
InChIKeyXMXQQUKACKWHLT-UHFFFAOYSA-N
MW341.25 g/mol
LogP4.46
Rot. Bonds3

About [(3-bromo-5-methylphenyl)-naphthalen-2-ylmethyl]hydrazine

[(3-bromo-5-methylphenyl)-naphthalen-2-ylmethyl]hydrazine (PubChem CID 105301492) has the molecular formula C18H17BrN2 and a molecular weight of 341.25 g/mol. Its IUPAC name is [(3-bromo-5-methylphenyl)-naphthalen-2-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-5-methylphenyl)-naphthalen-2-ylmethyl]hydrazine
PubChem CID105301492
Molecular FormulaC18H17BrN2
Molecular Weight341.25 g/mol
Exact Mass340.06
IUPAC Name[(3-bromo-5-methylphenyl)-naphthalen-2-ylmethyl]hydrazine
SMILESCc1cc(Br)cc(C(NN)c2ccc3ccccc3c2)c1
InChIInChI=1S/C18H17BrN2/c1-12-8-16(11-17(19)9-12)18(21-20)15-7-6-13-4-2-3-5-14(13)10-15/h2-11,18,21H,20H2,1H3
InChIKeyXMXQQUKACKWHLT-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

[(3-bromo-5-methylphenyl)-(3-methylphenyl)methyl]hydrazine
CID 105284831
[(4-bromophenyl)-naphthalen-2-ylmethyl]hydrazine
CID 105192358
[(6-bromonaphthalen-2-yl)-(3-methylphenyl)methyl]hydrazine
CID 105284934
[(3-bromo-5-methylphenyl)-(3-fluorophenyl)methyl]hydrazine
CID 105285496
[(5-bromo-3-pyridinyl)-naphthalen-2-ylmethyl]hydrazine
CID 105251096
[(4-bromophenyl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105192528
[(3,5-difluorophenyl)-naphthalen-2-ylmethyl]hydrazine
CID 105207823
[(3-bromo-5-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 105300978
[(4-fluoro-3-methylphenyl)-naphthalen-2-ylmethyl]hydrazine
CID 105204047
[(3-bromo-5-methylphenyl)-(4-chloro-3-methoxyphenyl)methyl]hydrazine
CID 105320733
[(4-iodophenyl)-naphthalen-2-ylmethyl]hydrazine
CID 105301574
[(3-bromo-5-fluorophenyl)-(3-methylphenyl)methyl]hydrazine
CID 105238627

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-5-methylphenyl)-naphthalen-2-ylmethyl]hydrazine?
The IUPAC name of [(3-bromo-5-methylphenyl)-naphthalen-2-ylmethyl]hydrazine (CID 105301492) is [(3-bromo-5-methylphenyl)-naphthalen-2-ylmethyl]hydrazine.
What is the SMILES notation for [(3-bromo-5-methylphenyl)-naphthalen-2-ylmethyl]hydrazine?
The canonical SMILES for [(3-bromo-5-methylphenyl)-naphthalen-2-ylmethyl]hydrazine is Cc1cc(Br)cc(C(NN)c2ccc3ccccc3c2)c1.
What is the InChIKey of [(3-bromo-5-methylphenyl)-naphthalen-2-ylmethyl]hydrazine?
The InChIKey is XMXQQUKACKWHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2/c1-12-8-16(11-17(19)9-12)18(21-20)15-7-6-13-4-2-3-5-14(13)10-15/h2-11,18,21H,20H2,1H3.
What are the key properties of [(3-bromo-5-methylphenyl)-naphthalen-2-ylmethyl]hydrazine?
[(3-bromo-5-methylphenyl)-naphthalen-2-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 [(3-bromo-5-methylphenyl)-naphthalen-2-ylmethyl]hydrazine is sourced from PubChem (CID 105301492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).