[(4-bromo-3-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine

C16H23BrN2O2 — CID 105325539

IUPAC[(4-bromo-3-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
SMILESCc1cc(C(NN)C2CCOC3(CCOC3)C2)ccc1Br
InChIInChI=1S/C16H23BrN2O2/c1-11-8-12(2-3-14(11)17)15(19-18)13-4-6-21-16(9-13)5-7-20-10-16/h2-3,8,13,15,19H,4-7,9-10,18H2,1H3
InChIKeyPBEMDGQADOSYLF-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.85
Rot. Bonds3

About [(4-bromo-3-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine

[(4-bromo-3-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine (PubChem CID 105325539) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is [(4-bromo-3-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-3-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
PubChem CID105325539
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name[(4-bromo-3-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
SMILESCc1cc(C(NN)C2CCOC3(CCOC3)C2)ccc1Br
InChIInChI=1S/C16H23BrN2O2/c1-11-8-12(2-3-14(11)17)15(19-18)13-4-6-21-16(9-13)5-7-20-10-16/h2-3,8,13,15,19H,4-7,9-10,18H2,1H3
InChIKeyPBEMDGQADOSYLF-UHFFFAOYSA-N
XLogP2.85
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.85
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'}

Analyze [(4-bromo-3-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3,4-dimethylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325543
[(2-bromo-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325647
[(3-bromo-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325550
[2,6-dioxaspiro[4.5]decan-9-yl-(4-methylsulfanylphenyl)methyl]hydrazine
CID 105325620
1-(4-bromo-3-fluorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine
CID 105017006
[(2,4-dimethylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325558
[2,6-dioxaspiro[4.5]decan-9-yl-(3-methoxyphenyl)methyl]hydrazine
CID 105191848
1-(4-chloro-3-methylphenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine
CID 105017166
1-(2,5-dibromophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine
CID 105017245
[2,6-dioxaspiro[4.5]decan-9-yl-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105325556
[(2-chloro-4-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 106860109
[(5-chlorofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 106694620

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-3-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine?
The IUPAC name of [(4-bromo-3-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine (CID 105325539) is [(4-bromo-3-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-3-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-3-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine is Cc1cc(C(NN)C2CCOC3(CCOC3)C2)ccc1Br.
What is the InChIKey of [(4-bromo-3-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine?
The InChIKey is PBEMDGQADOSYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-11-8-12(2-3-14(11)17)15(19-18)13-4-6-21-16(9-13)5-7-20-10-16/h2-3,8,13,15,19H,4-7,9-10,18H2,1H3.
What are the key properties of [(4-bromo-3-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine?
[(4-bromo-3-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine has a molecular weight of 355.28 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-3-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine is sourced from PubChem (CID 105325539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).