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

C12H19ClN2O — CID 106868463

IUPAC[1-(2-chloro-4-methylphenyl)-4-methoxybutan-2-yl]hydrazine
SMILESCOCCC(Cc1ccc(C)cc1Cl)NN
InChIInChI=1S/C12H19ClN2O/c1-9-3-4-10(12(13)7-9)8-11(15-14)5-6-16-2/h3-4,7,11,15H,5-6,8,14H2,1-2H3
InChIKeyAMYFTSZKKOWABZ-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.06
Rot. Bonds6

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

[1-(2-chloro-4-methylphenyl)-4-methoxybutan-2-yl]hydrazine (PubChem CID 106868463) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is [1-(2-chloro-4-methylphenyl)-4-methoxybutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-chloro-4-methylphenyl)-4-methoxybutan-2-yl]hydrazine
PubChem CID106868463
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name[1-(2-chloro-4-methylphenyl)-4-methoxybutan-2-yl]hydrazine
SMILESCOCCC(Cc1ccc(C)cc1Cl)NN
InChIInChI=1S/C12H19ClN2O/c1-9-3-4-10(12(13)7-9)8-11(15-14)5-6-16-2/h3-4,7,11,15H,5-6,8,14H2,1-2H3
InChIKeyAMYFTSZKKOWABZ-UHFFFAOYSA-N
XLogP2.06
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.06
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-(4-bromo-2-chlorophenyl)-4-methoxybutan-2-yl]hydrazine
CID 105206418
[1-(2-chlorophenyl)-4-methoxybutan-2-yl]hydrazine
CID 105206395
1-(2-chloro-4-methylphenyl)butan-2-ylhydrazine
CID 106868414
4-(2-chloro-4-methylphenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 106871466
[1-(2,4-dichlorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 105200199
[1-(2-chloro-4-methylphenyl)-4-pyridin-4-ylbutan-2-yl]hydrazine
CID 106868466
[1-(5-chloro-2-fluorophenyl)-4-methoxybutan-2-yl]hydrazine
CID 103053532
[1-(4-bromo-2-chlorophenyl)-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine
CID 105335288
1-(2-chloro-4-methylphenyl)-5-methoxy-N-propylpentan-2-amine
CID 106866613
[1-(2-chloro-4-methylphenyl)-3-thiophen-2-ylpropan-2-yl]hydrazine
CID 106868502
[1-(2-chloro-4-methylphenyl)-4,5,5-trimethylhexan-2-yl]hydrazine
CID 106868573
[1-(2-chloro-4-methylphenyl)-3-pyridin-3-ylpropan-2-yl]hydrazine
CID 106868440

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-4-methylphenyl)-4-methoxybutan-2-yl]hydrazine?
The IUPAC name of [1-(2-chloro-4-methylphenyl)-4-methoxybutan-2-yl]hydrazine (CID 106868463) is [1-(2-chloro-4-methylphenyl)-4-methoxybutan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-chloro-4-methylphenyl)-4-methoxybutan-2-yl]hydrazine?
The canonical SMILES for [1-(2-chloro-4-methylphenyl)-4-methoxybutan-2-yl]hydrazine is COCCC(Cc1ccc(C)cc1Cl)NN.
What is the InChIKey of [1-(2-chloro-4-methylphenyl)-4-methoxybutan-2-yl]hydrazine?
The InChIKey is AMYFTSZKKOWABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-9-3-4-10(12(13)7-9)8-11(15-14)5-6-16-2/h3-4,7,11,15H,5-6,8,14H2,1-2H3.
What are the key properties of [1-(2-chloro-4-methylphenyl)-4-methoxybutan-2-yl]hydrazine?
[1-(2-chloro-4-methylphenyl)-4-methoxybutan-2-yl]hydrazine has a molecular weight of 242.75 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-4-methylphenyl)-4-methoxybutan-2-yl]hydrazine is sourced from PubChem (CID 106868463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).