[1-(5-chloro-2-methoxyphenyl)-3-methoxybutan-2-yl]hydrazine

C12H19ClN2O2 — CID 105246987

IUPAC[1-(5-chloro-2-methoxyphenyl)-3-methoxybutan-2-yl]hydrazine
SMILESCOc1ccc(Cl)cc1CC(NN)C(C)OC
InChIInChI=1S/C12H19ClN2O2/c1-8(16-2)11(15-14)7-9-6-10(13)4-5-12(9)17-3/h4-6,8,11,15H,7,14H2,1-3H3
InChIKeyBTIQNMQADIHUDY-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.76
Rot. Bonds6

About [1-(5-chloro-2-methoxyphenyl)-3-methoxybutan-2-yl]hydrazine

[1-(5-chloro-2-methoxyphenyl)-3-methoxybutan-2-yl]hydrazine (PubChem CID 105246987) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is [1-(5-chloro-2-methoxyphenyl)-3-methoxybutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(5-chloro-2-methoxyphenyl)-3-methoxybutan-2-yl]hydrazine
PubChem CID105246987
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC Name[1-(5-chloro-2-methoxyphenyl)-3-methoxybutan-2-yl]hydrazine
SMILESCOc1ccc(Cl)cc1CC(NN)C(C)OC
InChIInChI=1S/C12H19ClN2O2/c1-8(16-2)11(15-14)7-9-6-10(13)4-5-12(9)17-3/h4-6,8,11,15H,7,14H2,1-3H3
InChIKeyBTIQNMQADIHUDY-UHFFFAOYSA-N
XLogP1.76
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [1-(5-chloro-2-methoxyphenyl)-3-methoxybutan-2-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2,5-dichlorophenyl)-3-methoxybutan-2-yl]hydrazine
CID 105247088
[1-chloro-3-(5-chloro-2-methoxyphenyl)-1,1-difluoropropan-2-yl]hydrazine
CID 105265511
[1-(2-chloro-5-fluorophenyl)-3-methoxybutan-2-yl]hydrazine
CID 102623380
1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-amine
CID 62602017
[1-(3-chlorophenyl)-3-methoxybutan-2-yl]hydrazine
CID 105247122
[2-(5-chloro-2-methoxyphenyl)-1-(5-chloro-2-methylphenyl)ethyl]hydrazine
CID 105297654
[2-(5-chloro-2-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]hydrazine
CID 105297633
[1-(5-chloro-2-methoxyphenyl)-4,5,5-trimethylhexan-2-yl]hydrazine
CID 105297648
1-(5-chloro-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65131585
3-(5-chloro-2-methoxyphenyl)-1,1-dimethoxy-N-propylpropan-2-amine
CID 79492881
[2-(5-chloro-2-methoxyphenyl)-1-(3,5-dimethylphenyl)ethyl]hydrazine
CID 105297599
[1-(5-chloro-2-methoxyphenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 103025258

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2-methoxyphenyl)-3-methoxybutan-2-yl]hydrazine?
The IUPAC name of [1-(5-chloro-2-methoxyphenyl)-3-methoxybutan-2-yl]hydrazine (CID 105246987) is [1-(5-chloro-2-methoxyphenyl)-3-methoxybutan-2-yl]hydrazine.
What is the SMILES notation for [1-(5-chloro-2-methoxyphenyl)-3-methoxybutan-2-yl]hydrazine?
The canonical SMILES for [1-(5-chloro-2-methoxyphenyl)-3-methoxybutan-2-yl]hydrazine is COc1ccc(Cl)cc1CC(NN)C(C)OC.
What is the InChIKey of [1-(5-chloro-2-methoxyphenyl)-3-methoxybutan-2-yl]hydrazine?
The InChIKey is BTIQNMQADIHUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2/c1-8(16-2)11(15-14)7-9-6-10(13)4-5-12(9)17-3/h4-6,8,11,15H,7,14H2,1-3H3.
What are the key properties of [1-(5-chloro-2-methoxyphenyl)-3-methoxybutan-2-yl]hydrazine?
[1-(5-chloro-2-methoxyphenyl)-3-methoxybutan-2-yl]hydrazine has a molecular weight of 258.75 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-methoxyphenyl)-3-methoxybutan-2-yl]hydrazine is sourced from PubChem (CID 105246987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).