[(3-bromo-2-methylphenyl)-(3,4-dimethylcyclohexyl)methyl]hydrazine

C16H25BrN2 — CID 105312464

IUPAC[(3-bromo-2-methylphenyl)-(3,4-dimethylcyclohexyl)methyl]hydrazine
SMILESCc1c(Br)cccc1C(NN)C1CCC(C)C(C)C1
InChIInChI=1S/C16H25BrN2/c1-10-7-8-13(9-11(10)2)16(19-18)14-5-4-6-15(17)12(14)3/h4-6,10-11,13,16,19H,7-9,18H2,1-3H3
InChIKeyKLDDACILNKBVBR-UHFFFAOYSA-N
MW325.29 g/mol
LogP4.33
Rot. Bonds3

About [(3-bromo-2-methylphenyl)-(3,4-dimethylcyclohexyl)methyl]hydrazine

[(3-bromo-2-methylphenyl)-(3,4-dimethylcyclohexyl)methyl]hydrazine (PubChem CID 105312464) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is [(3-bromo-2-methylphenyl)-(3,4-dimethylcyclohexyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-2-methylphenyl)-(3,4-dimethylcyclohexyl)methyl]hydrazine
PubChem CID105312464
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name[(3-bromo-2-methylphenyl)-(3,4-dimethylcyclohexyl)methyl]hydrazine
SMILESCc1c(Br)cccc1C(NN)C1CCC(C)C(C)C1
InChIInChI=1S/C16H25BrN2/c1-10-7-8-13(9-11(10)2)16(19-18)14-5-4-6-15(17)12(14)3/h4-6,10-11,13,16,19H,7-9,18H2,1-3H3
InChIKeyKLDDACILNKBVBR-UHFFFAOYSA-N
XLogP4.33
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 54.33
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

[(3,4-dimethylcyclohexyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105312456
[(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methyl]hydrazine
CID 106649075
[(5-chloro-2-methylphenyl)-(3,4-dimethylcyclohexyl)methyl]hydrazine
CID 105312511
[(3-bromo-2-methylphenyl)-(2-phenylcyclopropyl)methyl]hydrazine
CID 105341547
[(3,4-dimethylcyclohexyl)-(3-methylsulfonylphenyl)methyl]hydrazine
CID 105312315
[(3,4-dimethylcyclohexyl)-thiophen-2-ylmethyl]hydrazine
CID 105193681
N-[(3-bromo-2-chlorophenyl)-(3,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 104989523
1-(3-bromo-2-methylphenyl)-1-cyclohexyl-N-methylmethanamine
CID 114980961
[(3,5-dimethylcyclohexyl)-(2,3-dimethylphenyl)methyl]hydrazine
CID 105312105
1-(3,4-dimethylcyclohexyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 104989351
[(2-bromo-3-methylphenyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 107986073
1-(2,3-dimethoxyphenyl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine
CID 105154541

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-2-methylphenyl)-(3,4-dimethylcyclohexyl)methyl]hydrazine?
The IUPAC name of [(3-bromo-2-methylphenyl)-(3,4-dimethylcyclohexyl)methyl]hydrazine (CID 105312464) is [(3-bromo-2-methylphenyl)-(3,4-dimethylcyclohexyl)methyl]hydrazine.
What is the SMILES notation for [(3-bromo-2-methylphenyl)-(3,4-dimethylcyclohexyl)methyl]hydrazine?
The canonical SMILES for [(3-bromo-2-methylphenyl)-(3,4-dimethylcyclohexyl)methyl]hydrazine is Cc1c(Br)cccc1C(NN)C1CCC(C)C(C)C1.
What is the InChIKey of [(3-bromo-2-methylphenyl)-(3,4-dimethylcyclohexyl)methyl]hydrazine?
The InChIKey is KLDDACILNKBVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-10-7-8-13(9-11(10)2)16(19-18)14-5-4-6-15(17)12(14)3/h4-6,10-11,13,16,19H,7-9,18H2,1-3H3.
What are the key properties of [(3-bromo-2-methylphenyl)-(3,4-dimethylcyclohexyl)methyl]hydrazine?
[(3-bromo-2-methylphenyl)-(3,4-dimethylcyclohexyl)methyl]hydrazine has a molecular weight of 325.29 g/mol, XLogP of 4.33, 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)-(3,4-dimethylcyclohexyl)methyl]hydrazine is sourced from PubChem (CID 105312464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).