3-[[1-[3-(tert-butylamino)-1,1,1-trifluoropropan-2-yl]oxy-2-methylpropan-2-yl]amino]butan-2-ol

C15H31F3N2O2 — CID 134533548

IUPAC3-[[1-[3-(tert-butylamino)-1,1,1-trifluoropropan-2-yl]oxy-2-methylpropan-2-yl]amino]butan-2-ol
SMILESCC(O)C(C)NC(C)(C)COC(CNC(C)(C)C)C(F)(F)F
InChIInChI=1S/C15H31F3N2O2/c1-10(11(2)21)20-14(6,7)9-22-12(15(16,17)18)8-19-13(3,4)5/h10-12,19-21H,8-9H2,1-7H3
InChIKeyNHJWTHUSANSEAO-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.46
Rot. Bonds8

About 3-[[1-[3-(tert-butylamino)-1,1,1-trifluoropropan-2-yl]oxy-2-methylpropan-2-yl]amino]butan-2-ol

3-[[1-[3-(tert-butylamino)-1,1,1-trifluoropropan-2-yl]oxy-2-methylpropan-2-yl]amino]butan-2-ol (PubChem CID 134533548) has the molecular formula C15H31F3N2O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-[[1-[3-(tert-butylamino)-1,1,1-trifluoropropan-2-yl]oxy-2-methylpropan-2-yl]amino]butan-2-ol.

Molecular Properties

Compound Name3-[[1-[3-(tert-butylamino)-1,1,1-trifluoropropan-2-yl]oxy-2-methylpropan-2-yl]amino]butan-2-ol
PubChem CID134533548
Molecular FormulaC15H31F3N2O2
Molecular Weight328.42 g/mol
Exact Mass328.23
IUPAC Name3-[[1-[3-(tert-butylamino)-1,1,1-trifluoropropan-2-yl]oxy-2-methylpropan-2-yl]amino]butan-2-ol
SMILESCC(O)C(C)NC(C)(C)COC(CNC(C)(C)C)C(F)(F)F
InChIInChI=1S/C15H31F3N2O2/c1-10(11(2)21)20-14(6,7)9-22-12(15(16,17)18)8-19-13(3,4)5/h10-12,19-21H,8-9H2,1-7H3
InChIKeyNHJWTHUSANSEAO-UHFFFAOYSA-N
XLogP2.46
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[1-[3-(tert-butylamino)-1,1,1-trifluoropropan-2-yl]oxy-2-methylpropan-2-yl]amino]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 3-[[1-[3-(tert-butylamino)-1,1,1-trifluoropropan-2-yl]oxy-2-methylpropan-2-yl]amino]butan-2-ol?
The IUPAC name of 3-[[1-[3-(tert-butylamino)-1,1,1-trifluoropropan-2-yl]oxy-2-methylpropan-2-yl]amino]butan-2-ol (CID 134533548) is 3-[[1-[3-(tert-butylamino)-1,1,1-trifluoropropan-2-yl]oxy-2-methylpropan-2-yl]amino]butan-2-ol.
What is the SMILES notation for 3-[[1-[3-(tert-butylamino)-1,1,1-trifluoropropan-2-yl]oxy-2-methylpropan-2-yl]amino]butan-2-ol?
The canonical SMILES for 3-[[1-[3-(tert-butylamino)-1,1,1-trifluoropropan-2-yl]oxy-2-methylpropan-2-yl]amino]butan-2-ol is CC(O)C(C)NC(C)(C)COC(CNC(C)(C)C)C(F)(F)F.
What is the InChIKey of 3-[[1-[3-(tert-butylamino)-1,1,1-trifluoropropan-2-yl]oxy-2-methylpropan-2-yl]amino]butan-2-ol?
The InChIKey is NHJWTHUSANSEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31F3N2O2/c1-10(11(2)21)20-14(6,7)9-22-12(15(16,17)18)8-19-13(3,4)5/h10-12,19-21H,8-9H2,1-7H3.
What are the key properties of 3-[[1-[3-(tert-butylamino)-1,1,1-trifluoropropan-2-yl]oxy-2-methylpropan-2-yl]amino]butan-2-ol?
3-[[1-[3-(tert-butylamino)-1,1,1-trifluoropropan-2-yl]oxy-2-methylpropan-2-yl]amino]butan-2-ol has a molecular weight of 328.42 g/mol, XLogP of 2.46, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[3-(tert-butylamino)-1,1,1-trifluoropropan-2-yl]oxy-2-methylpropan-2-yl]amino]butan-2-ol is sourced from PubChem (CID 134533548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).