1-(2-amino-3-fluoroanilino)-4-methoxy-2-methylbutan-2-ol

C12H19FN2O2 — CID 106250724

IUPAC1-(2-amino-3-fluoroanilino)-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNc1cccc(F)c1N
InChIInChI=1S/C12H19FN2O2/c1-12(16,6-7-17-2)8-15-10-5-3-4-9(13)11(10)14/h3-5,15-16H,6-8,14H2,1-2H3
InChIKeyZIEHMHANFHYOFP-UHFFFAOYSA-N
MW242.29 g/mol
LogP1.61
Rot. Bonds6

About 1-(2-amino-3-fluoroanilino)-4-methoxy-2-methylbutan-2-ol

1-(2-amino-3-fluoroanilino)-4-methoxy-2-methylbutan-2-ol (PubChem CID 106250724) has the molecular formula C12H19FN2O2 and a molecular weight of 242.29 g/mol. Its IUPAC name is 1-(2-amino-3-fluoroanilino)-4-methoxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(2-amino-3-fluoroanilino)-4-methoxy-2-methylbutan-2-ol
PubChem CID106250724
Molecular FormulaC12H19FN2O2
Molecular Weight242.29 g/mol
Exact Mass242.14
IUPAC Name1-(2-amino-3-fluoroanilino)-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNc1cccc(F)c1N
InChIInChI=1S/C12H19FN2O2/c1-12(16,6-7-17-2)8-15-10-5-3-4-9(13)11(10)14/h3-5,15-16H,6-8,14H2,1-2H3
InChIKeyZIEHMHANFHYOFP-UHFFFAOYSA-N
XLogP1.61
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-1-N-(2-methoxyethyl)benzene-1,2-diamine
CID 53255756
1-(3-amino-2-methylanilino)-4-methoxy-2-methylbutan-2-ol
CID 106250587
1-N-(2,2-dimethylpropyl)-3-fluorobenzene-1,2-diamine
CID 61167849
1-[1-(2,6-difluorophenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784261
2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]benzonitrile
CID 106253939
1-(2-amino-4-methoxyanilino)-4-methoxy-2-methylbutan-2-ol
CID 114164064
1-(2-amino-5-methoxyanilino)-4-methoxy-2-methylbutan-2-ol
CID 106250963
2-fluoro-6-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]aniline
CID 114125884
1-[(2-bromo-3-fluorophenyl)methylamino]-4-methoxy-2-methylbutan-2-ol
CID 106255103
2-amino-3-[(4-methoxy-2,2-dimethylbutyl)amino]benzamide
CID 114126621
1-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784211
4-methoxy-1-(3-methoxy-2-nitroanilino)-2-methylbutan-2-ol
CID 106254031

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-fluoroanilino)-4-methoxy-2-methylbutan-2-ol?
The IUPAC name of 1-(2-amino-3-fluoroanilino)-4-methoxy-2-methylbutan-2-ol (CID 106250724) is 1-(2-amino-3-fluoroanilino)-4-methoxy-2-methylbutan-2-ol.
What is the SMILES notation for 1-(2-amino-3-fluoroanilino)-4-methoxy-2-methylbutan-2-ol?
The canonical SMILES for 1-(2-amino-3-fluoroanilino)-4-methoxy-2-methylbutan-2-ol is COCCC(C)(O)CNc1cccc(F)c1N.
What is the InChIKey of 1-(2-amino-3-fluoroanilino)-4-methoxy-2-methylbutan-2-ol?
The InChIKey is ZIEHMHANFHYOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2/c1-12(16,6-7-17-2)8-15-10-5-3-4-9(13)11(10)14/h3-5,15-16H,6-8,14H2,1-2H3.
What are the key properties of 1-(2-amino-3-fluoroanilino)-4-methoxy-2-methylbutan-2-ol?
1-(2-amino-3-fluoroanilino)-4-methoxy-2-methylbutan-2-ol has a molecular weight of 242.29 g/mol, XLogP of 1.61, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-fluoroanilino)-4-methoxy-2-methylbutan-2-ol is sourced from PubChem (CID 106250724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).