[1-(3-chloro-5-methylphenyl)-3-methylbutyl]hydrazine

C12H19ClN2 — CID 105282675

IUPAC[1-(3-chloro-5-methylphenyl)-3-methylbutyl]hydrazine
SMILESCc1cc(Cl)cc(C(CC(C)C)NN)c1
InChIInChI=1S/C12H19ClN2/c1-8(2)4-12(15-14)10-5-9(3)6-11(13)7-10/h5-8,12,15H,4,14H2,1-3H3
InChIKeyPYEPDEJNJLTKOC-UHFFFAOYSA-N
MW226.75 g/mol
LogP3.20
Rot. Bonds4

About [1-(3-chloro-5-methylphenyl)-3-methylbutyl]hydrazine

[1-(3-chloro-5-methylphenyl)-3-methylbutyl]hydrazine (PubChem CID 105282675) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is [1-(3-chloro-5-methylphenyl)-3-methylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(3-chloro-5-methylphenyl)-3-methylbutyl]hydrazine
PubChem CID105282675
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name[1-(3-chloro-5-methylphenyl)-3-methylbutyl]hydrazine
SMILESCc1cc(Cl)cc(C(CC(C)C)NN)c1
InChIInChI=1S/C12H19ClN2/c1-8(2)4-12(15-14)10-5-9(3)6-11(13)7-10/h5-8,12,15H,4,14H2,1-3H3
InChIKeyPYEPDEJNJLTKOC-UHFFFAOYSA-N
XLogP3.20
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-bromo-5-chlorophenyl)-3-methylbutyl]hydrazine
CID 107947997
[1-(3-chloro-5-methylphenyl)-2-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 105297214
[1-(3-chloro-5-methylphenyl)-3-methylbut-3-enyl]hydrazine
CID 105319456
[1-(4-chlorophenyl)-3-methylbutyl]hydrazine
CID 105193198
[1-(3-chloro-5-methylphenyl)-2-(3,4-dichlorophenyl)ethyl]hydrazine
CID 105296773
[3-methyl-1-(2,4,6-trimethylphenyl)butyl]hydrazine
CID 105282755
1-(3,5-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 115782535
1-(3,5-dichlorophenyl)butylhydrazine
CID 105282259
[1-(3-bromo-5-chlorophenyl)-4-methylpentyl]hydrazine
CID 107948109
1-(3-chloro-5-methylphenyl)propan-1-ol
CID 115787792
(1S)-1-(3-chloro-5-methylphenyl)-N-methylethanamine
CID 130671218
[2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-5-methylphenyl)ethyl]hydrazine
CID 105309443

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-5-methylphenyl)-3-methylbutyl]hydrazine?
The IUPAC name of [1-(3-chloro-5-methylphenyl)-3-methylbutyl]hydrazine (CID 105282675) is [1-(3-chloro-5-methylphenyl)-3-methylbutyl]hydrazine.
What is the SMILES notation for [1-(3-chloro-5-methylphenyl)-3-methylbutyl]hydrazine?
The canonical SMILES for [1-(3-chloro-5-methylphenyl)-3-methylbutyl]hydrazine is Cc1cc(Cl)cc(C(CC(C)C)NN)c1.
What is the InChIKey of [1-(3-chloro-5-methylphenyl)-3-methylbutyl]hydrazine?
The InChIKey is PYEPDEJNJLTKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-8(2)4-12(15-14)10-5-9(3)6-11(13)7-10/h5-8,12,15H,4,14H2,1-3H3.
What are the key properties of [1-(3-chloro-5-methylphenyl)-3-methylbutyl]hydrazine?
[1-(3-chloro-5-methylphenyl)-3-methylbutyl]hydrazine has a molecular weight of 226.75 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-5-methylphenyl)-3-methylbutyl]hydrazine is sourced from PubChem (CID 105282675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).