[(2-bromo-5-fluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine

C14H20BrFN2 — CID 105313608

IUPAC[(2-bromo-5-fluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine
SMILESCC1CCCC(C(NN)c2cc(F)ccc2Br)C1
InChIInChI=1S/C14H20BrFN2/c1-9-3-2-4-10(7-9)14(18-17)12-8-11(16)5-6-13(12)15/h5-6,8-10,14,18H,2-4,7,17H2,1H3
InChIKeyMXQAULNQFXDSCP-UHFFFAOYSA-N
MW315.23 g/mol
LogP3.92
Rot. Bonds3

About [(2-bromo-5-fluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine

[(2-bromo-5-fluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine (PubChem CID 105313608) has the molecular formula C14H20BrFN2 and a molecular weight of 315.23 g/mol. Its IUPAC name is [(2-bromo-5-fluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-bromo-5-fluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine
PubChem CID105313608
Molecular FormulaC14H20BrFN2
Molecular Weight315.23 g/mol
Exact Mass314.08
IUPAC Name[(2-bromo-5-fluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine
SMILESCC1CCCC(C(NN)c2cc(F)ccc2Br)C1
InChIInChI=1S/C14H20BrFN2/c1-9-3-2-4-10(7-9)14(18-17)12-8-11(16)5-6-13(12)15/h5-6,8-10,14,18H,2-4,7,17H2,1H3
InChIKeyMXQAULNQFXDSCP-UHFFFAOYSA-N
XLogP3.92
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 53.92
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

[(2,4-difluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105210328
[(5-fluoro-2-methoxyphenyl)-(3-methylcyclopentyl)methyl]hydrazine
CID 105233254
[(2-fluoro-3-methylphenyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105313617
[cyclobutyl-(2,5-dibromophenyl)methyl]hydrazine
CID 105340154
[(2-bromo-4-fluorophenyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105311807
[(2-bromo-3-methylphenyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 107986073
[(2-bromo-5-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325503
[(5-fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105313472
[(2-ethoxyphenyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105210206
[(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methyl]hydrazine
CID 106649075
[(3-bromophenyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105197926
2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 63415205

Frequently Asked Questions

What is the IUPAC name of [(2-bromo-5-fluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine?
The IUPAC name of [(2-bromo-5-fluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine (CID 105313608) is [(2-bromo-5-fluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine.
What is the SMILES notation for [(2-bromo-5-fluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine?
The canonical SMILES for [(2-bromo-5-fluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine is CC1CCCC(C(NN)c2cc(F)ccc2Br)C1.
What is the InChIKey of [(2-bromo-5-fluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine?
The InChIKey is MXQAULNQFXDSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2/c1-9-3-2-4-10(7-9)14(18-17)12-8-11(16)5-6-13(12)15/h5-6,8-10,14,18H,2-4,7,17H2,1H3.
What are the key properties of [(2-bromo-5-fluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine?
[(2-bromo-5-fluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine has a molecular weight of 315.23 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-bromo-5-fluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine is sourced from PubChem (CID 105313608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).