[1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine

C13H21FN2O2 — CID 105245358

IUPAC[1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
SMILESCOc1ccc(CC(NN)C(C)(C)OC)cc1F
InChIInChI=1S/C13H21FN2O2/c1-13(2,18-4)12(16-15)8-9-5-6-11(17-3)10(14)7-9/h5-7,12,16H,8,15H2,1-4H3
InChIKeyDARUBBQLKYRSRE-UHFFFAOYSA-N
MW256.32 g/mol
LogP1.63
Rot. Bonds6

About [1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine

[1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine (PubChem CID 105245358) has the molecular formula C13H21FN2O2 and a molecular weight of 256.32 g/mol. Its IUPAC name is [1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
PubChem CID105245358
Molecular FormulaC13H21FN2O2
Molecular Weight256.32 g/mol
Exact Mass256.16
IUPAC Name[1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
SMILESCOc1ccc(CC(NN)C(C)(C)OC)cc1F
InChIInChI=1S/C13H21FN2O2/c1-13(2,18-4)12(16-15)8-9-5-6-11(17-3)10(14)7-9/h5-7,12,16H,8,15H2,1-4H3
InChIKeyDARUBBQLKYRSRE-UHFFFAOYSA-N
XLogP1.63
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 51.63
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-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methylbutan-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-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine
CID 79198045
1-(3,4-difluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine
CID 82922734
1-(3-fluoro-4-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63889804
[3-methoxy-3-methyl-1-(3-methylphenyl)butan-2-yl]hydrazine
CID 105245324
[1-(3,4-difluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine
CID 105274512
[2-(3-fluoro-4-methoxyphenyl)-1-(4-methylphenyl)ethyl]hydrazine
CID 105194332
1-(3-fluoro-4-methoxyphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
CID 79047153
[1-(5-chloro-2-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105280097
1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine
CID 62601628
[1-(2-fluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 105245348
3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-3-methylbutan-2-ol
CID 116713778
[1-cyclooctyl-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105255092

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine?
The IUPAC name of [1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine (CID 105245358) is [1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine?
The canonical SMILES for [1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine is COc1ccc(CC(NN)C(C)(C)OC)cc1F.
What is the InChIKey of [1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine?
The InChIKey is DARUBBQLKYRSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O2/c1-13(2,18-4)12(16-15)8-9-5-6-11(17-3)10(14)7-9/h5-7,12,16H,8,15H2,1-4H3.
What are the key properties of [1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine?
[1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine has a molecular weight of 256.32 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine is sourced from PubChem (CID 105245358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).