[1-(2-chloro-3-methylphenyl)-3-methylbut-2-enyl]hydrazine

C12H17ClN2 — CID 105319889

IUPAC[1-(2-chloro-3-methylphenyl)-3-methylbut-2-enyl]hydrazine
SMILESCC(C)=CC(NN)c1cccc(C)c1Cl
InChIInChI=1S/C12H17ClN2/c1-8(2)7-11(15-14)10-6-4-5-9(3)12(10)13/h4-7,11,15H,14H2,1-3H3
InChIKeySAWGHWKGPYTNSS-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.12
Rot. Bonds3

About [1-(2-chloro-3-methylphenyl)-3-methylbut-2-enyl]hydrazine

[1-(2-chloro-3-methylphenyl)-3-methylbut-2-enyl]hydrazine (PubChem CID 105319889) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is [1-(2-chloro-3-methylphenyl)-3-methylbut-2-enyl]hydrazine.

Molecular Properties

Compound Name[1-(2-chloro-3-methylphenyl)-3-methylbut-2-enyl]hydrazine
PubChem CID105319889
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name[1-(2-chloro-3-methylphenyl)-3-methylbut-2-enyl]hydrazine
SMILESCC(C)=CC(NN)c1cccc(C)c1Cl
InChIInChI=1S/C12H17ClN2/c1-8(2)7-11(15-14)10-6-4-5-9(3)12(10)13/h4-7,11,15H,14H2,1-3H3
InChIKeySAWGHWKGPYTNSS-UHFFFAOYSA-N
XLogP3.12
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-3-methylphenyl)-3-methylbut-2-en-1-ol
CID 115817197
[1-(5-chloro-2-fluorophenyl)-3-methylbut-2-enyl]hydrazine
CID 105280246
1-(2-bromo-3-methylphenyl)-N,3-dimethylbut-2-en-1-amine
CID 107985160
[1-(2-tert-butylphenyl)-3-methylbut-2-enyl]hydrazine
CID 105319819
[1-(2-chloro-3-methylphenyl)-2-cyclobutylethyl]hydrazine
CID 105310135
[1-(5-chlorofuran-2-yl)-3-methylbut-2-enyl]hydrazine
CID 106694554
(1R,2R)-2-amino-1-(2-chloro-3-methylphenyl)propan-1-ol
CID 130826820
[(2-chloro-3-methylphenyl)-thiophen-2-ylmethyl]hydrazine
CID 105287597
[1-(2-chloro-3-methylphenyl)-2-(2-methylphenyl)ethyl]hydrazine
CID 105285247
[(2-chloro-3-methylphenyl)-(3,5-difluorophenyl)methyl]hydrazine
CID 105301884
[1-(1-benzothiophen-3-yl)-3-methylbut-2-enyl]hydrazine
CID 105319840
1-(2-chloro-3-methylphenyl)hexylhydrazine
CID 105294703

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-3-methylphenyl)-3-methylbut-2-enyl]hydrazine?
The IUPAC name of [1-(2-chloro-3-methylphenyl)-3-methylbut-2-enyl]hydrazine (CID 105319889) is [1-(2-chloro-3-methylphenyl)-3-methylbut-2-enyl]hydrazine.
What is the SMILES notation for [1-(2-chloro-3-methylphenyl)-3-methylbut-2-enyl]hydrazine?
The canonical SMILES for [1-(2-chloro-3-methylphenyl)-3-methylbut-2-enyl]hydrazine is CC(C)=CC(NN)c1cccc(C)c1Cl.
What is the InChIKey of [1-(2-chloro-3-methylphenyl)-3-methylbut-2-enyl]hydrazine?
The InChIKey is SAWGHWKGPYTNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-8(2)7-11(15-14)10-6-4-5-9(3)12(10)13/h4-7,11,15H,14H2,1-3H3.
What are the key properties of [1-(2-chloro-3-methylphenyl)-3-methylbut-2-enyl]hydrazine?
[1-(2-chloro-3-methylphenyl)-3-methylbut-2-enyl]hydrazine has a molecular weight of 224.73 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-3-methylphenyl)-3-methylbut-2-enyl]hydrazine is sourced from PubChem (CID 105319889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).