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

C16H23ClN2O2 — CID 106860109

IUPAC[(2-chloro-4-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
SMILESCc1ccc(C(NN)C2CCOC3(CCOC3)C2)c(Cl)c1
InChIInChI=1S/C16H23ClN2O2/c1-11-2-3-13(14(17)8-11)15(19-18)12-4-6-21-16(9-12)5-7-20-10-16/h2-3,8,12,15,19H,4-7,9-10,18H2,1H3
InChIKeyBMVBBCLIFHRGQT-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.74
Rot. Bonds3

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

[(2-chloro-4-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine (PubChem CID 106860109) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is [(2-chloro-4-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-chloro-4-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
PubChem CID106860109
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name[(2-chloro-4-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
SMILESCc1ccc(C(NN)C2CCOC3(CCOC3)C2)c(Cl)c1
InChIInChI=1S/C16H23ClN2O2/c1-11-2-3-13(14(17)8-11)15(19-18)12-4-6-21-16(9-12)5-7-20-10-16/h2-3,8,12,15,19H,4-7,9-10,18H2,1H3
InChIKeyBMVBBCLIFHRGQT-UHFFFAOYSA-N
XLogP2.74
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.74
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

[(2,4-dimethylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325558
[(2-bromo-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325647
(2-chloro-4-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 106859418
[(2-chloro-4-methylphenyl)-(oxan-4-yl)methyl]hydrazine
CID 106859916
[(2,5-dichlorothiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 107970487
[(5-chlorofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 106694620
1-(2-chloro-4-fluorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine
CID 79909223
[(3-bromo-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325550
[(3,4-dimethylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325543
[(2,5-dimethylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105322196
[(3-chloro-4-pyridinyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105323264
[2,6-dioxaspiro[4.5]decan-9-yl-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105325556

Frequently Asked Questions

What is the IUPAC name of [(2-chloro-4-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine?
The IUPAC name of [(2-chloro-4-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine (CID 106860109) is [(2-chloro-4-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine.
What is the SMILES notation for [(2-chloro-4-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine?
The canonical SMILES for [(2-chloro-4-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine is Cc1ccc(C(NN)C2CCOC3(CCOC3)C2)c(Cl)c1.
What is the InChIKey of [(2-chloro-4-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine?
The InChIKey is BMVBBCLIFHRGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-11-2-3-13(14(17)8-11)15(19-18)12-4-6-21-16(9-12)5-7-20-10-16/h2-3,8,12,15,19H,4-7,9-10,18H2,1H3.
What are the key properties of [(2-chloro-4-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine?
[(2-chloro-4-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine has a molecular weight of 310.82 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-chloro-4-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine is sourced from PubChem (CID 106860109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).