[(4-chloro-2-methoxyphenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine

C16H25ClN2O — CID 105312280

IUPAC[(4-chloro-2-methoxyphenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine
SMILESCOc1cc(Cl)ccc1C(NN)C1CC(C)CC(C)C1
InChIInChI=1S/C16H25ClN2O/c1-10-6-11(2)8-12(7-10)16(19-18)14-5-4-13(17)9-15(14)20-3/h4-5,9-12,16,19H,6-8,18H2,1-3H3
InChIKeyVLVBXKRGZPIIAH-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.93
Rot. Bonds4

About [(4-chloro-2-methoxyphenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine

[(4-chloro-2-methoxyphenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine (PubChem CID 105312280) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is [(4-chloro-2-methoxyphenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-chloro-2-methoxyphenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine
PubChem CID105312280
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name[(4-chloro-2-methoxyphenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine
SMILESCOc1cc(Cl)ccc1C(NN)C1CC(C)CC(C)C1
InChIInChI=1S/C16H25ClN2O/c1-10-6-11(2)8-12(7-10)16(19-18)14-5-4-13(17)9-15(14)20-3/h4-5,9-12,16,19H,6-8,18H2,1-3H3
InChIKeyVLVBXKRGZPIIAH-UHFFFAOYSA-N
XLogP3.93
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.93
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

[(5-chloro-2-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine
CID 105265902
[(3,4-dimethoxyphenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine
CID 105192235
[(2,4-dimethoxyphenyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105210736
[(2-bromo-3,4-difluorophenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine
CID 107541415
[(2,3-dichlorophenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine
CID 105312173
[(3-bromo-4-methoxyphenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine
CID 105312262
1-(4-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 112705535
[(2-methoxyphenyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105191189
N-[(4-chloro-2-methoxyphenyl)-cyclohexylmethyl]propan-1-amine
CID 114981230
[(2,4-dimethoxyphenyl)-(4,4-dimethylcyclohexyl)methyl]hydrazine
CID 105231871
[(2,5-dimethoxyphenyl)-(3-methylcyclopentyl)methyl]hydrazine
CID 105233270
1-(4-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 167530953

Frequently Asked Questions

What is the IUPAC name of [(4-chloro-2-methoxyphenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine?
The IUPAC name of [(4-chloro-2-methoxyphenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine (CID 105312280) is [(4-chloro-2-methoxyphenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine.
What is the SMILES notation for [(4-chloro-2-methoxyphenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine?
The canonical SMILES for [(4-chloro-2-methoxyphenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine is COc1cc(Cl)ccc1C(NN)C1CC(C)CC(C)C1.
What is the InChIKey of [(4-chloro-2-methoxyphenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine?
The InChIKey is VLVBXKRGZPIIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-10-6-11(2)8-12(7-10)16(19-18)14-5-4-13(17)9-15(14)20-3/h4-5,9-12,16,19H,6-8,18H2,1-3H3.
What are the key properties of [(4-chloro-2-methoxyphenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine?
[(4-chloro-2-methoxyphenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine has a molecular weight of 296.84 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chloro-2-methoxyphenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine is sourced from PubChem (CID 105312280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).