2-[[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]-(2,2,2-trifluoroethyl)amino]ethanol

C14H29F3N2O — CID 107486836

IUPAC2-[[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCCC(C)(CNC(C)C)CN(CCO)CC(F)(F)F
InChIInChI=1S/C14H29F3N2O/c1-5-6-13(4,9-18-12(2)3)10-19(7-8-20)11-14(15,16)17/h12,18,20H,5-11H2,1-4H3
InChIKeySWEXPRPRISYULQ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.65
Rot. Bonds10

About 2-[[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]-(2,2,2-trifluoroethyl)amino]ethanol

2-[[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107486836) has the molecular formula C14H29F3N2O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107486836
Molecular FormulaC14H29F3N2O
Molecular Weight298.39 g/mol
Exact Mass298.22
IUPAC Name2-[[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCCC(C)(CNC(C)C)CN(CCO)CC(F)(F)F
InChIInChI=1S/C14H29F3N2O/c1-5-6-13(4,9-18-12(2)3)10-19(7-8-20)11-14(15,16)17/h12,18,20H,5-11H2,1-4H3
InChIKeySWEXPRPRISYULQ-UHFFFAOYSA-N
XLogP2.65
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]-(2,2,2-trifluoroethyl)amino]ethanol (CID 107486836) is 2-[[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]-(2,2,2-trifluoroethyl)amino]ethanol is CCCC(C)(CNC(C)C)CN(CCO)CC(F)(F)F.
What is the InChIKey of 2-[[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is SWEXPRPRISYULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29F3N2O/c1-5-6-13(4,9-18-12(2)3)10-19(7-8-20)11-14(15,16)17/h12,18,20H,5-11H2,1-4H3.
What are the key properties of 2-[[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 298.39 g/mol, XLogP of 2.65, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107486836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).