3-(2-amino-4-fluoroanilino)-2,3-dimethylbutan-2-ol

C12H19FN2O — CID 106183294

IUPAC3-(2-amino-4-fluoroanilino)-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)Nc1ccc(F)cc1N
InChIInChI=1S/C12H19FN2O/c1-11(2,12(3,4)16)15-10-6-5-8(13)7-9(10)14/h5-7,15-16H,14H2,1-4H3
InChIKeyHBFPSQOQAHTDJY-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.37
Rot. Bonds3

About 3-(2-amino-4-fluoroanilino)-2,3-dimethylbutan-2-ol

3-(2-amino-4-fluoroanilino)-2,3-dimethylbutan-2-ol (PubChem CID 106183294) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 3-(2-amino-4-fluoroanilino)-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-(2-amino-4-fluoroanilino)-2,3-dimethylbutan-2-ol
PubChem CID106183294
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name3-(2-amino-4-fluoroanilino)-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)Nc1ccc(F)cc1N
InChIInChI=1S/C12H19FN2O/c1-11(2,12(3,4)16)15-10-6-5-8(13)7-9(10)14/h5-7,15-16H,14H2,1-4H3
InChIKeyHBFPSQOQAHTDJY-UHFFFAOYSA-N
XLogP2.37
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-amino-4-(trifluoromethyl)anilino]-2,3-dimethylbutan-2-ol
CID 106183414
3-(2-amino-4-chloroanilino)-2,3-dimethylbutan-2-ol
CID 106183405
2-(2-amino-4-fluoroanilino)-2-methylpropan-1-ol
CID 43498840
1-(2-amino-5-fluoroanilino)-2-methylpropan-2-ol
CID 65103407
N-(2-amino-4-fluorophenyl)acetamide;ethane
CID 178102337
2-amino-5-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide
CID 106179911
1-N-chloro-4-fluorobenzene-1,2-diamine
CID 175119536
2-(2-amino-4-fluoroanilino)-N-tert-butylacetamide
CID 115355980
N-(2-amino-4-fluorophenyl)-2,2-dimethylbutanamide
CID 28691399
4-fluoro-1-N-(3-methylbut-2-enyl)benzene-1,2-diamine
CID 106182061
(2-amino-4-fluorophenyl)carbamic acid
CID 22318019
4-fluoro-1-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine
CID 20780029

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-fluoroanilino)-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-(2-amino-4-fluoroanilino)-2,3-dimethylbutan-2-ol (CID 106183294) is 3-(2-amino-4-fluoroanilino)-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-(2-amino-4-fluoroanilino)-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-(2-amino-4-fluoroanilino)-2,3-dimethylbutan-2-ol is CC(C)(O)C(C)(C)Nc1ccc(F)cc1N.
What is the InChIKey of 3-(2-amino-4-fluoroanilino)-2,3-dimethylbutan-2-ol?
The InChIKey is HBFPSQOQAHTDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-11(2,12(3,4)16)15-10-6-5-8(13)7-9(10)14/h5-7,15-16H,14H2,1-4H3.
What are the key properties of 3-(2-amino-4-fluoroanilino)-2,3-dimethylbutan-2-ol?
3-(2-amino-4-fluoroanilino)-2,3-dimethylbutan-2-ol has a molecular weight of 226.29 g/mol, XLogP of 2.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-fluoroanilino)-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 106183294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).