2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-(2,2-difluoroethyl)amino]ethanol

C15H32F2N2O — CID 107486519

IUPAC2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-(2,2-difluoroethyl)amino]ethanol
SMILESCCCC(C)(CNC(C)(C)C)CN(CCO)CC(F)F
InChIInChI=1S/C15H32F2N2O/c1-6-7-15(5,11-18-14(2,3)4)12-19(8-9-20)10-13(16)17/h13,18,20H,6-12H2,1-5H3
InChIKeyQPVLOBJUTPBGDO-UHFFFAOYSA-N
MW294.43 g/mol
LogP2.74
Rot. Bonds10

About 2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-(2,2-difluoroethyl)amino]ethanol

2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107486519) has the molecular formula C15H32F2N2O and a molecular weight of 294.43 g/mol. Its IUPAC name is 2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-(2,2-difluoroethyl)amino]ethanol
PubChem CID107486519
Molecular FormulaC15H32F2N2O
Molecular Weight294.43 g/mol
Exact Mass294.25
IUPAC Name2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-(2,2-difluoroethyl)amino]ethanol
SMILESCCCC(C)(CNC(C)(C)C)CN(CCO)CC(F)F
InChIInChI=1S/C15H32F2N2O/c1-6-7-15(5,11-18-14(2,3)4)12-19(8-9-20)10-13(16)17/h13,18,20H,6-12H2,1-5H3
InChIKeyQPVLOBJUTPBGDO-UHFFFAOYSA-N
XLogP2.74
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.43
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-(2,2-difluoroethyl)amino]ethanol (CID 107486519) is 2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-(2,2-difluoroethyl)amino]ethanol is CCCC(C)(CNC(C)(C)C)CN(CCO)CC(F)F.
What is the InChIKey of 2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is QPVLOBJUTPBGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32F2N2O/c1-6-7-15(5,11-18-14(2,3)4)12-19(8-9-20)10-13(16)17/h13,18,20H,6-12H2,1-5H3.
What are the key properties of 2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-(2,2-difluoroethyl)amino]ethanol?
2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 294.43 g/mol, XLogP of 2.74, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107486519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).