[1-(2-chloro-3-methylphenyl)-2-(oxan-4-yl)ethyl]hydrazine

C14H21ClN2O — CID 105298897

IUPAC[1-(2-chloro-3-methylphenyl)-2-(oxan-4-yl)ethyl]hydrazine
SMILESCc1cccc(C(CC2CCOCC2)NN)c1Cl
InChIInChI=1S/C14H21ClN2O/c1-10-3-2-4-12(14(10)15)13(17-16)9-11-5-7-18-8-6-11/h2-4,11,13,17H,5-9,16H2,1H3
InChIKeyPNLJOPSWUMVUEP-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.97
Rot. Bonds4

About [1-(2-chloro-3-methylphenyl)-2-(oxan-4-yl)ethyl]hydrazine

[1-(2-chloro-3-methylphenyl)-2-(oxan-4-yl)ethyl]hydrazine (PubChem CID 105298897) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is [1-(2-chloro-3-methylphenyl)-2-(oxan-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(2-chloro-3-methylphenyl)-2-(oxan-4-yl)ethyl]hydrazine
PubChem CID105298897
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name[1-(2-chloro-3-methylphenyl)-2-(oxan-4-yl)ethyl]hydrazine
SMILESCc1cccc(C(CC2CCOCC2)NN)c1Cl
InChIInChI=1S/C14H21ClN2O/c1-10-3-2-4-12(14(10)15)13(17-16)9-11-5-7-18-8-6-11/h2-4,11,13,17H,5-9,16H2,1H3
InChIKeyPNLJOPSWUMVUEP-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
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-(2-chloro-3-methylphenyl)-2-cyclobutylethyl]hydrazine
CID 105310135
[1-(3-chloro-4-methylthiophen-2-yl)-2-(oxan-4-yl)ethyl]hydrazine
CID 103408526
1-(2,3-dichlorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115846928
[2-cyclobutyl-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105310166
N-[(2-chloro-3-methylphenyl)-(oxan-4-yl)methyl]ethanamine
CID 115855904
[1-(2-methoxy-5-methylphenyl)-2-(oxan-4-yl)ethyl]hydrazine
CID 105298761
[1-(2-bromo-4-chlorophenyl)-2-(oxan-4-yl)ethyl]hydrazine
CID 107996948
[1-(2,5-dichlorothiophen-3-yl)-2-(oxan-4-yl)ethyl]hydrazine
CID 107970203
1-(3-chloro-2-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 107102229
[1-[2-(difluoromethoxy)phenyl]-2-(oxan-4-yl)ethyl]hydrazine
CID 105298760
[1-(2,5-dimethoxyphenyl)-2-(oxan-4-yl)ethyl]hydrazine
CID 105298736
[1-(2-chloro-3-methylphenyl)-2-(2-methylphenyl)ethyl]hydrazine
CID 105285247

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-3-methylphenyl)-2-(oxan-4-yl)ethyl]hydrazine?
The IUPAC name of [1-(2-chloro-3-methylphenyl)-2-(oxan-4-yl)ethyl]hydrazine (CID 105298897) is [1-(2-chloro-3-methylphenyl)-2-(oxan-4-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(2-chloro-3-methylphenyl)-2-(oxan-4-yl)ethyl]hydrazine?
The canonical SMILES for [1-(2-chloro-3-methylphenyl)-2-(oxan-4-yl)ethyl]hydrazine is Cc1cccc(C(CC2CCOCC2)NN)c1Cl.
What is the InChIKey of [1-(2-chloro-3-methylphenyl)-2-(oxan-4-yl)ethyl]hydrazine?
The InChIKey is PNLJOPSWUMVUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-10-3-2-4-12(14(10)15)13(17-16)9-11-5-7-18-8-6-11/h2-4,11,13,17H,5-9,16H2,1H3.
What are the key properties of [1-(2-chloro-3-methylphenyl)-2-(oxan-4-yl)ethyl]hydrazine?
[1-(2-chloro-3-methylphenyl)-2-(oxan-4-yl)ethyl]hydrazine has a molecular weight of 268.79 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-3-methylphenyl)-2-(oxan-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105298897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).