2-(3-fluoroanilino)-2,4-dimethylpentan-1-ol

C13H20FNO — CID 61048497

IUPAC2-(3-fluoroanilino)-2,4-dimethylpentan-1-ol
SMILESCC(C)CC(C)(CO)Nc1cccc(F)c1
InChIInChI=1S/C13H20FNO/c1-10(2)8-13(3,9-16)15-12-6-4-5-11(14)7-12/h4-7,10,15-16H,8-9H2,1-3H3
InChIKeyWUFHYRZHJQPKHU-UHFFFAOYSA-N
MW225.31 g/mol
LogP3.03
Rot. Bonds5

About 2-(3-fluoroanilino)-2,4-dimethylpentan-1-ol

2-(3-fluoroanilino)-2,4-dimethylpentan-1-ol (PubChem CID 61048497) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-(3-fluoroanilino)-2,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name2-(3-fluoroanilino)-2,4-dimethylpentan-1-ol
PubChem CID61048497
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name2-(3-fluoroanilino)-2,4-dimethylpentan-1-ol
SMILESCC(C)CC(C)(CO)Nc1cccc(F)c1
InChIInChI=1S/C13H20FNO/c1-10(2)8-13(3,9-16)15-12-6-4-5-11(14)7-12/h4-7,10,15-16H,8-9H2,1-3H3
InChIKeyWUFHYRZHJQPKHU-UHFFFAOYSA-N
XLogP3.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoroanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid
CID 114868131
2-(3,4-dimethylphenyl)-2-(3-fluoroanilino)propan-1-ol
CID 61047714
2-(4-bromophenyl)-2-(3-fluoroanilino)propan-1-ol
CID 61048694
3-(3-fluorophenyl)-2-methyl-2-(2-methylpropylamino)propan-1-ol
CID 114834241
2-(3-fluoroanilino)-2-phenylbutan-1-ol
CID 61048101
(2R)-N-[(2S)-3-(3-fluoroanilino)-2-methyl-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 156785145
3-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]benzoic acid
CID 102823266
2-(3-bromoanilino)-2-(3-fluorophenyl)propan-1-ol
CID 61048867
3-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64827300
2-(4-fluoroanilino)-2-methylbutan-1-ol
CID 61050548
2-ethyl-2-(3-fluoroanilino)butanoic acid
CID 60993028
2-(3-fluoroanilino)-4,4-dimethylpentanamide
CID 55156390

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)-2,4-dimethylpentan-1-ol?
The IUPAC name of 2-(3-fluoroanilino)-2,4-dimethylpentan-1-ol (CID 61048497) is 2-(3-fluoroanilino)-2,4-dimethylpentan-1-ol.
What is the SMILES notation for 2-(3-fluoroanilino)-2,4-dimethylpentan-1-ol?
The canonical SMILES for 2-(3-fluoroanilino)-2,4-dimethylpentan-1-ol is CC(C)CC(C)(CO)Nc1cccc(F)c1.
What is the InChIKey of 2-(3-fluoroanilino)-2,4-dimethylpentan-1-ol?
The InChIKey is WUFHYRZHJQPKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-10(2)8-13(3,9-16)15-12-6-4-5-11(14)7-12/h4-7,10,15-16H,8-9H2,1-3H3.
What are the key properties of 2-(3-fluoroanilino)-2,4-dimethylpentan-1-ol?
2-(3-fluoroanilino)-2,4-dimethylpentan-1-ol has a molecular weight of 225.31 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroanilino)-2,4-dimethylpentan-1-ol is sourced from PubChem (CID 61048497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).