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

C14H30F2N2O — CID 107486556

IUPAC2-[[2-[(tert-butylamino)methyl]-2-methylbutyl]-(2,2-difluoroethyl)amino]ethanol
SMILESCCC(C)(CNC(C)(C)C)CN(CCO)CC(F)F
InChIInChI=1S/C14H30F2N2O/c1-6-14(5,10-17-13(2,3)4)11-18(7-8-19)9-12(15)16/h12,17,19H,6-11H2,1-5H3
InChIKeyLDJHVRJCYSHJTD-UHFFFAOYSA-N
MW280.40 g/mol
LogP2.35
Rot. Bonds9

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

2-[[2-[(tert-butylamino)methyl]-2-methylbutyl]-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107486556) has the molecular formula C14H30F2N2O and a molecular weight of 280.40 g/mol. Its IUPAC name is 2-[[2-[(tert-butylamino)methyl]-2-methylbutyl]-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2-[(tert-butylamino)methyl]-2-methylbutyl]-(2,2-difluoroethyl)amino]ethanol
PubChem CID107486556
Molecular FormulaC14H30F2N2O
Molecular Weight280.40 g/mol
Exact Mass280.23
IUPAC Name2-[[2-[(tert-butylamino)methyl]-2-methylbutyl]-(2,2-difluoroethyl)amino]ethanol
SMILESCCC(C)(CNC(C)(C)C)CN(CCO)CC(F)F
InChIInChI=1S/C14H30F2N2O/c1-6-14(5,10-17-13(2,3)4)11-18(7-8-19)9-12(15)16/h12,17,19H,6-11H2,1-5H3
InChIKeyLDJHVRJCYSHJTD-UHFFFAOYSA-N
XLogP2.35
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 52.35
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-methylbutyl]-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[[2-[(tert-butylamino)methyl]-2-methylbutyl]-(2,2-difluoroethyl)amino]ethanol (CID 107486556) is 2-[[2-[(tert-butylamino)methyl]-2-methylbutyl]-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[2-[(tert-butylamino)methyl]-2-methylbutyl]-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[2-[(tert-butylamino)methyl]-2-methylbutyl]-(2,2-difluoroethyl)amino]ethanol is CCC(C)(CNC(C)(C)C)CN(CCO)CC(F)F.
What is the InChIKey of 2-[[2-[(tert-butylamino)methyl]-2-methylbutyl]-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is LDJHVRJCYSHJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30F2N2O/c1-6-14(5,10-17-13(2,3)4)11-18(7-8-19)9-12(15)16/h12,17,19H,6-11H2,1-5H3.
What are the key properties of 2-[[2-[(tert-butylamino)methyl]-2-methylbutyl]-(2,2-difluoroethyl)amino]ethanol?
2-[[2-[(tert-butylamino)methyl]-2-methylbutyl]-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 280.40 g/mol, XLogP of 2.35, 9 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-methylbutyl]-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107486556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).