4-(tert-butylamino)-2-(2,4-difluorophenyl)butan-2-ol

C14H21F2NO — CID 66001269

IUPAC4-(tert-butylamino)-2-(2,4-difluorophenyl)butan-2-ol
SMILESCC(C)(C)NCCC(C)(O)c1ccc(F)cc1F
InChIInChI=1S/C14H21F2NO/c1-13(2,3)17-8-7-14(4,18)11-6-5-10(15)9-12(11)16/h5-6,9,17-18H,7-8H2,1-4H3
InChIKeyPTKDBPSLBONLKZ-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.95
Rot. Bonds4

About 4-(tert-butylamino)-2-(2,4-difluorophenyl)butan-2-ol

4-(tert-butylamino)-2-(2,4-difluorophenyl)butan-2-ol (PubChem CID 66001269) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 4-(tert-butylamino)-2-(2,4-difluorophenyl)butan-2-ol.

Molecular Properties

Compound Name4-(tert-butylamino)-2-(2,4-difluorophenyl)butan-2-ol
PubChem CID66001269
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name4-(tert-butylamino)-2-(2,4-difluorophenyl)butan-2-ol
SMILESCC(C)(C)NCCC(C)(O)c1ccc(F)cc1F
InChIInChI=1S/C14H21F2NO/c1-13(2,3)17-8-7-14(4,18)11-6-5-10(15)9-12(11)16/h5-6,9,17-18H,7-8H2,1-4H3
InChIKeyPTKDBPSLBONLKZ-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(tert-butylamino)-2-(2,4-difluorophenyl)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-2-(2,4-difluorophenyl)butan-2-ol?
The IUPAC name of 4-(tert-butylamino)-2-(2,4-difluorophenyl)butan-2-ol (CID 66001269) is 4-(tert-butylamino)-2-(2,4-difluorophenyl)butan-2-ol.
What is the SMILES notation for 4-(tert-butylamino)-2-(2,4-difluorophenyl)butan-2-ol?
The canonical SMILES for 4-(tert-butylamino)-2-(2,4-difluorophenyl)butan-2-ol is CC(C)(C)NCCC(C)(O)c1ccc(F)cc1F.
What is the InChIKey of 4-(tert-butylamino)-2-(2,4-difluorophenyl)butan-2-ol?
The InChIKey is PTKDBPSLBONLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-13(2,3)17-8-7-14(4,18)11-6-5-10(15)9-12(11)16/h5-6,9,17-18H,7-8H2,1-4H3.
What are the key properties of 4-(tert-butylamino)-2-(2,4-difluorophenyl)butan-2-ol?
4-(tert-butylamino)-2-(2,4-difluorophenyl)butan-2-ol has a molecular weight of 257.32 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-2-(2,4-difluorophenyl)butan-2-ol is sourced from PubChem (CID 66001269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).