[(3-bromo-4-methoxyphenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine

C16H25BrN2O — CID 105312262

IUPAC[(3-bromo-4-methoxyphenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine
SMILESCOc1ccc(C(NN)C2CC(C)CC(C)C2)cc1Br
InChIInChI=1S/C16H25BrN2O/c1-10-6-11(2)8-13(7-10)16(19-18)12-4-5-15(20-3)14(17)9-12/h4-5,9-11,13,16,19H,6-8,18H2,1-3H3
InChIKeyHCTYYRBHBFDRIM-UHFFFAOYSA-N
MW341.29 g/mol
LogP4.03
Rot. Bonds4

About [(3-bromo-4-methoxyphenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine

[(3-bromo-4-methoxyphenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine (PubChem CID 105312262) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is [(3-bromo-4-methoxyphenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-4-methoxyphenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine
PubChem CID105312262
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name[(3-bromo-4-methoxyphenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine
SMILESCOc1ccc(C(NN)C2CC(C)CC(C)C2)cc1Br
InChIInChI=1S/C16H25BrN2O/c1-10-6-11(2)8-13(7-10)16(19-18)12-4-5-15(20-3)14(17)9-12/h4-5,9-11,13,16,19H,6-8,18H2,1-3H3
InChIKeyHCTYYRBHBFDRIM-UHFFFAOYSA-N
XLogP4.03
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-dimethoxyphenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine
CID 105192235
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64751793
1-(3-bromo-4-methoxyphenyl)ethylhydrazine
CID 82478801
[(4-chloro-2-methoxyphenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine
CID 105312280
2-(3-bromo-4-methoxyphenyl)-2-cyclopropylethanamine
CID 82093055
[(3,5-dimethylcyclohexyl)-(4-ethylphenyl)methyl]hydrazine
CID 105197458
(3-bromo-4-methoxyphenyl)-(4-methylcyclohexyl)methanol
CID 64749368
[cyclopropyl-(3-methoxy-4-methylphenyl)methyl]hydrazine
CID 105314485
[1-(3-bromo-4-methoxyphenyl)-2-(oxan-4-yl)ethyl]hydrazine
CID 105298912
[1-(3-bromo-4-methoxyphenyl)-3-cyclopropylpropyl]hydrazine
CID 105315194
N-[(3-bromo-4-methoxyphenyl)-cyclooctylmethyl]ethanamine
CID 65018549
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-4-methoxyphenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine?
The IUPAC name of [(3-bromo-4-methoxyphenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine (CID 105312262) is [(3-bromo-4-methoxyphenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine.
What is the SMILES notation for [(3-bromo-4-methoxyphenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine?
The canonical SMILES for [(3-bromo-4-methoxyphenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine is COc1ccc(C(NN)C2CC(C)CC(C)C2)cc1Br.
What is the InChIKey of [(3-bromo-4-methoxyphenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine?
The InChIKey is HCTYYRBHBFDRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-10-6-11(2)8-13(7-10)16(19-18)12-4-5-15(20-3)14(17)9-12/h4-5,9-11,13,16,19H,6-8,18H2,1-3H3.
What are the key properties of [(3-bromo-4-methoxyphenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine?
[(3-bromo-4-methoxyphenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine has a molecular weight of 341.29 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromo-4-methoxyphenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine is sourced from PubChem (CID 105312262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).