[(5-chloro-2-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine

C16H24ClN3O — CID 105265902

IUPAC[(5-chloro-2-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine
SMILESCOc1ccc(Cl)cc1C(NN)C1CC2CCC(C1)N2C
InChIInChI=1S/C16H24ClN3O/c1-20-12-4-5-13(20)8-10(7-12)16(19-18)14-9-11(17)3-6-15(14)21-2/h3,6,9-10,12-13,16,19H,4-5,7-8,18H2,1-2H3
InChIKeyKUTUFFIQVCSUGS-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.73
Rot. Bonds4

About [(5-chloro-2-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine

[(5-chloro-2-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine (PubChem CID 105265902) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is [(5-chloro-2-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-chloro-2-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine
PubChem CID105265902
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name[(5-chloro-2-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine
SMILESCOc1ccc(Cl)cc1C(NN)C1CC2CCC(C1)N2C
InChIInChI=1S/C16H24ClN3O/c1-20-12-4-5-13(20)8-10(7-12)16(19-18)14-9-11(17)3-6-15(14)21-2/h3,6,9-10,12-13,16,19H,4-5,7-8,18H2,1-2H3
InChIKeyKUTUFFIQVCSUGS-UHFFFAOYSA-N
XLogP2.73
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[(2,5-dichlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine
CID 105265806
[(2-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine
CID 105265688
[(4-chloro-3-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine
CID 105265723
[(4-chloro-2-methoxyphenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine
CID 105312280
[(5-chloro-2-methoxyphenyl)-(2-ethylcyclohexyl)methyl]hydrazine
CID 105309673
[(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methyl]hydrazine
CID 107193744
[(5-chloro-2-methoxyphenyl)-(1,1-dioxothian-2-yl)methyl]hydrazine
CID 105300920
[(2,4-dimethylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine
CID 105265750
(1S,2R)-2-amino-2-(5-chloro-2-methoxyphenyl)-1-cyclopropylethanol
CID 171265620
[(5-chloro-2-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]hydrazine
CID 105300931
[(2,5-dimethoxyphenyl)-(3-methylcyclopentyl)methyl]hydrazine
CID 105233270
[1-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-2-methoxyethyl]hydrazine
CID 105278765

Frequently Asked Questions

What is the IUPAC name of [(5-chloro-2-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine?
The IUPAC name of [(5-chloro-2-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine (CID 105265902) is [(5-chloro-2-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine.
What is the SMILES notation for [(5-chloro-2-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine?
The canonical SMILES for [(5-chloro-2-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine is COc1ccc(Cl)cc1C(NN)C1CC2CCC(C1)N2C.
What is the InChIKey of [(5-chloro-2-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine?
The InChIKey is KUTUFFIQVCSUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-20-12-4-5-13(20)8-10(7-12)16(19-18)14-9-11(17)3-6-15(14)21-2/h3,6,9-10,12-13,16,19H,4-5,7-8,18H2,1-2H3.
What are the key properties of [(5-chloro-2-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine?
[(5-chloro-2-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine has a molecular weight of 309.84 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-chloro-2-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine is sourced from PubChem (CID 105265902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).