[(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine

C13H17ClN2O — CID 105333182

IUPAC[(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine
SMILESCc1ccc(C(NN)C2=COCCC2)cc1Cl
InChIInChI=1S/C13H17ClN2O/c1-9-4-5-10(7-12(9)14)13(16-15)11-3-2-6-17-8-11/h4-5,7-8,13,16H,2-3,6,15H2,1H3
InChIKeyUPYAPGPATHYTPG-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.85
Rot. Bonds3

About [(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine

[(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine (PubChem CID 105333182) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is [(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine
PubChem CID105333182
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name[(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine
SMILESCc1ccc(C(NN)C2=COCCC2)cc1Cl
InChIInChI=1S/C13H17ClN2O/c1-9-4-5-10(7-12(9)14)13(16-15)11-3-2-6-17-8-11/h4-5,7-8,13,16H,2-3,6,15H2,1H3
InChIKeyUPYAPGPATHYTPG-UHFFFAOYSA-N
XLogP2.85
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.85
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

1-(3-chloro-4-methylphenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
CID 105033548
[3,4-dihydro-2H-pyran-5-yl-(4-iodophenyl)methyl]hydrazine
CID 105333272
[3,4-dihydro-2H-pyran-5-yl-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 105333247
[(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine
CID 107948477
[(2-chlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine
CID 105210973
1-(3-bromo-4-methylphenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
CID 105033416
[3,4-dihydro-2H-pyran-5-yl-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208035
[(3-chloro-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine
CID 103408765
[3,4-dihydro-2H-pyran-5-yl-(4-methylthiophen-3-yl)methyl]hydrazine
CID 105251691
[(3-chloro-4-methylphenyl)-(2,6-dichlorophenyl)methyl]hydrazine
CID 107562687
[(4-tert-butylphenyl)-(3-chloro-4-methylphenyl)methyl]hydrazine
CID 105300392
[(4-chloro-3-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]hydrazine
CID 106650026

Frequently Asked Questions

What is the IUPAC name of [(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine?
The IUPAC name of [(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine (CID 105333182) is [(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine.
What is the SMILES notation for [(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine?
The canonical SMILES for [(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine is Cc1ccc(C(NN)C2=COCCC2)cc1Cl.
What is the InChIKey of [(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine?
The InChIKey is UPYAPGPATHYTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9-4-5-10(7-12(9)14)13(16-15)11-3-2-6-17-8-11/h4-5,7-8,13,16H,2-3,6,15H2,1H3.
What are the key properties of [(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine?
[(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine has a molecular weight of 252.74 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine is sourced from PubChem (CID 105333182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).