[2-(2-chloro-4-methylphenyl)-1-(oxan-4-yl)ethyl]hydrazine

C14H21ClN2O — CID 106868666

IUPAC[2-(2-chloro-4-methylphenyl)-1-(oxan-4-yl)ethyl]hydrazine
SMILESCc1ccc(CC(NN)C2CCOCC2)c(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-10-2-3-12(13(15)8-10)9-14(17-16)11-4-6-18-7-5-11/h2-3,8,11,14,17H,4-7,9,16H2,1H3
InChIKeyCYQISKAJQPCOKU-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.45
Rot. Bonds4

About [2-(2-chloro-4-methylphenyl)-1-(oxan-4-yl)ethyl]hydrazine

[2-(2-chloro-4-methylphenyl)-1-(oxan-4-yl)ethyl]hydrazine (PubChem CID 106868666) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is [2-(2-chloro-4-methylphenyl)-1-(oxan-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-chloro-4-methylphenyl)-1-(oxan-4-yl)ethyl]hydrazine
PubChem CID106868666
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name[2-(2-chloro-4-methylphenyl)-1-(oxan-4-yl)ethyl]hydrazine
SMILESCc1ccc(CC(NN)C2CCOCC2)c(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-10-2-3-12(13(15)8-10)9-14(17-16)11-4-6-18-7-5-11/h2-3,8,11,14,17H,4-7,9,16H2,1H3
InChIKeyCYQISKAJQPCOKU-UHFFFAOYSA-N
XLogP2.45
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.45
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'}

Analyze [2-(2-chloro-4-methylphenyl)-1-(oxan-4-yl)ethyl]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

[2-(2,4-dichlorophenyl)-1-(oxolan-3-yl)ethyl]hydrazine
CID 105200094
[2-(2-chloro-4-methylphenyl)-1-(oxan-2-yl)ethyl]hydrazine
CID 106868654
[(2-chloro-4-methylphenyl)-(oxan-4-yl)methyl]hydrazine
CID 106859916
[2-(4-bromo-2-chlorophenyl)-1-cyclobutylethyl]hydrazine
CID 105224466
[2-(3-chloro-2-fluorophenyl)-1-(oxan-4-yl)ethyl]hydrazine
CID 105264342
2-(2-chloro-4-methylphenyl)-1-cyclobutyl-N-methylethanamine
CID 106866254
[2-(4-bromo-2-chlorophenyl)-1-cyclohexylethyl]hydrazine
CID 105201861
[2-(5-fluoro-2-methylphenyl)-1-(oxan-4-yl)ethyl]hydrazine
CID 105377822
[2-(4-bromo-2-chlorophenyl)-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine
CID 105231757
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine
CID 63936685
1-(2-chloro-4-methylphenyl)-3-(oxolan-3-yl)propan-2-amine
CID 106868732
2-(2-chloro-4-methylphenyl)-1-cyclopentylethanamine
CID 106866447

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-4-methylphenyl)-1-(oxan-4-yl)ethyl]hydrazine?
The IUPAC name of [2-(2-chloro-4-methylphenyl)-1-(oxan-4-yl)ethyl]hydrazine (CID 106868666) is [2-(2-chloro-4-methylphenyl)-1-(oxan-4-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(2-chloro-4-methylphenyl)-1-(oxan-4-yl)ethyl]hydrazine?
The canonical SMILES for [2-(2-chloro-4-methylphenyl)-1-(oxan-4-yl)ethyl]hydrazine is Cc1ccc(CC(NN)C2CCOCC2)c(Cl)c1.
What is the InChIKey of [2-(2-chloro-4-methylphenyl)-1-(oxan-4-yl)ethyl]hydrazine?
The InChIKey is CYQISKAJQPCOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-10-2-3-12(13(15)8-10)9-14(17-16)11-4-6-18-7-5-11/h2-3,8,11,14,17H,4-7,9,16H2,1H3.
What are the key properties of [2-(2-chloro-4-methylphenyl)-1-(oxan-4-yl)ethyl]hydrazine?
[2-(2-chloro-4-methylphenyl)-1-(oxan-4-yl)ethyl]hydrazine has a molecular weight of 268.79 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-4-methylphenyl)-1-(oxan-4-yl)ethyl]hydrazine is sourced from PubChem (CID 106868666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).