[1-(2,4-dichlorophenyl)-5-methoxypentan-2-yl]hydrazine

C12H18Cl2N2O — CID 105200199

IUPAC[1-(2,4-dichlorophenyl)-5-methoxypentan-2-yl]hydrazine
SMILESCOCCCC(Cc1ccc(Cl)cc1Cl)NN
InChIInChI=1S/C12H18Cl2N2O/c1-17-6-2-3-11(16-15)7-9-4-5-10(13)8-12(9)14/h4-5,8,11,16H,2-3,6-7,15H2,1H3
InChIKeyYNTCDZWKBBPSRD-UHFFFAOYSA-N
MW277.19 g/mol
LogP2.79
Rot. Bonds7

About [1-(2,4-dichlorophenyl)-5-methoxypentan-2-yl]hydrazine

[1-(2,4-dichlorophenyl)-5-methoxypentan-2-yl]hydrazine (PubChem CID 105200199) has the molecular formula C12H18Cl2N2O and a molecular weight of 277.19 g/mol. Its IUPAC name is [1-(2,4-dichlorophenyl)-5-methoxypentan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2,4-dichlorophenyl)-5-methoxypentan-2-yl]hydrazine
PubChem CID105200199
Molecular FormulaC12H18Cl2N2O
Molecular Weight277.19 g/mol
Exact Mass276.08
IUPAC Name[1-(2,4-dichlorophenyl)-5-methoxypentan-2-yl]hydrazine
SMILESCOCCCC(Cc1ccc(Cl)cc1Cl)NN
InChIInChI=1S/C12H18Cl2N2O/c1-17-6-2-3-11(16-15)7-9-4-5-10(13)8-12(9)14/h4-5,8,11,16H,2-3,6-7,15H2,1H3
InChIKeyYNTCDZWKBBPSRD-UHFFFAOYSA-N
XLogP2.79
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(5-chloro-2-fluorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 103053586
[1-(2-chloro-4-methylphenyl)-4-methoxybutan-2-yl]hydrazine
CID 106868463
[1-(4-bromo-2-chlorophenyl)-4-methoxybutan-2-yl]hydrazine
CID 105206418
[1-(5-chloro-2-fluorophenyl)-4-methoxybutan-2-yl]hydrazine
CID 103053532
[1-(3-chloro-2-fluorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 105264431
[1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 107895069
[1-(2,4-dichlorophenyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine
CID 105200254
[1-(2,4-dichlorophenyl)-4-methylpentan-2-yl]hydrazine
CID 105199055
[1-(4-chloro-2-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine
CID 102929991
1-(2,4-dichlorophenyl)-5-ethoxy-N-ethylpentan-2-amine
CID 105132456
[1-(2-chlorophenyl)-4-methoxybutan-2-yl]hydrazine
CID 105206395
[1-(2,4-dichlorophenyl)-3-(3,5-difluorophenyl)propan-2-yl]hydrazine
CID 105206757

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dichlorophenyl)-5-methoxypentan-2-yl]hydrazine?
The IUPAC name of [1-(2,4-dichlorophenyl)-5-methoxypentan-2-yl]hydrazine (CID 105200199) is [1-(2,4-dichlorophenyl)-5-methoxypentan-2-yl]hydrazine.
What is the SMILES notation for [1-(2,4-dichlorophenyl)-5-methoxypentan-2-yl]hydrazine?
The canonical SMILES for [1-(2,4-dichlorophenyl)-5-methoxypentan-2-yl]hydrazine is COCCCC(Cc1ccc(Cl)cc1Cl)NN.
What is the InChIKey of [1-(2,4-dichlorophenyl)-5-methoxypentan-2-yl]hydrazine?
The InChIKey is YNTCDZWKBBPSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2O/c1-17-6-2-3-11(16-15)7-9-4-5-10(13)8-12(9)14/h4-5,8,11,16H,2-3,6-7,15H2,1H3.
What are the key properties of [1-(2,4-dichlorophenyl)-5-methoxypentan-2-yl]hydrazine?
[1-(2,4-dichlorophenyl)-5-methoxypentan-2-yl]hydrazine has a molecular weight of 277.19 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dichlorophenyl)-5-methoxypentan-2-yl]hydrazine is sourced from PubChem (CID 105200199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).