2-(4-fluoroanilino)-3-methyl-2-propan-2-ylbutan-1-ol

C14H22FNO — CID 112743486

IUPAC2-(4-fluoroanilino)-3-methyl-2-propan-2-ylbutan-1-ol
SMILESCC(C)C(CO)(Nc1ccc(F)cc1)C(C)C
InChIInChI=1S/C14H22FNO/c1-10(2)14(9-17,11(3)4)16-13-7-5-12(15)6-8-13/h5-8,10-11,16-17H,9H2,1-4H3
InChIKeyJACDENZUUQPMHE-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.28
Rot. Bonds5

About 2-(4-fluoroanilino)-3-methyl-2-propan-2-ylbutan-1-ol

2-(4-fluoroanilino)-3-methyl-2-propan-2-ylbutan-1-ol (PubChem CID 112743486) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-3-methyl-2-propan-2-ylbutan-1-ol.

Molecular Properties

Compound Name2-(4-fluoroanilino)-3-methyl-2-propan-2-ylbutan-1-ol
PubChem CID112743486
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name2-(4-fluoroanilino)-3-methyl-2-propan-2-ylbutan-1-ol
SMILESCC(C)C(CO)(Nc1ccc(F)cc1)C(C)C
InChIInChI=1S/C14H22FNO/c1-10(2)14(9-17,11(3)4)16-13-7-5-12(15)6-8-13/h5-8,10-11,16-17H,9H2,1-4H3
InChIKeyJACDENZUUQPMHE-UHFFFAOYSA-N
XLogP3.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4-fluoroanilino)-3-methyl-2-propan-2-ylbutan-1-ol 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

2-(4-fluoroanilino)-2-methylbutan-1-ol
CID 61050548
2-(4-fluoroanilino)-2-propylpentan-1-ol
CID 61048961
2-(4-fluoroanilino)-2-(2-methylphenyl)propan-1-ol
CID 61047955
2-(4-fluoroanilino)-2-(2-fluorophenyl)propan-1-ol
CID 61048560
2-(4-fluoroanilino)-2-(2,4,6-trimethylphenyl)propan-1-ol
CID 61048556
2-[(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-ol
CID 83151720
4-(4-fluoroanilino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 43397089
2-[4-(dimethylamino)phenyl]-2-(4-fluoroanilino)propan-1-ol
CID 61050347
2-(5-bromofuran-2-yl)-2-(4-fluoroanilino)propan-1-ol
CID 113437691
4-fluoro-N-propan-2-yl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine
CID 169440641
2-(4-fluoroanilino)-3-methyl-2-phenylbutanamide
CID 60997141
2-(4-fluoroanilino)-2-(1,3-thiazol-2-yl)propan-1-ol
CID 64991044

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-3-methyl-2-propan-2-ylbutan-1-ol?
The IUPAC name of 2-(4-fluoroanilino)-3-methyl-2-propan-2-ylbutan-1-ol (CID 112743486) is 2-(4-fluoroanilino)-3-methyl-2-propan-2-ylbutan-1-ol.
What is the SMILES notation for 2-(4-fluoroanilino)-3-methyl-2-propan-2-ylbutan-1-ol?
The canonical SMILES for 2-(4-fluoroanilino)-3-methyl-2-propan-2-ylbutan-1-ol is CC(C)C(CO)(Nc1ccc(F)cc1)C(C)C.
What is the InChIKey of 2-(4-fluoroanilino)-3-methyl-2-propan-2-ylbutan-1-ol?
The InChIKey is JACDENZUUQPMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-10(2)14(9-17,11(3)4)16-13-7-5-12(15)6-8-13/h5-8,10-11,16-17H,9H2,1-4H3.
What are the key properties of 2-(4-fluoroanilino)-3-methyl-2-propan-2-ylbutan-1-ol?
2-(4-fluoroanilino)-3-methyl-2-propan-2-ylbutan-1-ol has a molecular weight of 239.33 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-3-methyl-2-propan-2-ylbutan-1-ol is sourced from PubChem (CID 112743486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).