2-[2,2-difluoroethyl-[2-methyl-2-[(2-methylpropylamino)methyl]pentyl]amino]ethanol

C15H32F2N2O — CID 107486622

IUPAC2-[2,2-difluoroethyl-[2-methyl-2-[(2-methylpropylamino)methyl]pentyl]amino]ethanol
SMILESCCCC(C)(CNCC(C)C)CN(CCO)CC(F)F
InChIInChI=1S/C15H32F2N2O/c1-5-6-15(4,11-18-9-13(2)3)12-19(7-8-20)10-14(16)17/h13-14,18,20H,5-12H2,1-4H3
InChIKeyGPCRAVACDDRQEJ-UHFFFAOYSA-N
MW294.43 g/mol
LogP2.60
Rot. Bonds12

About 2-[2,2-difluoroethyl-[2-methyl-2-[(2-methylpropylamino)methyl]pentyl]amino]ethanol

2-[2,2-difluoroethyl-[2-methyl-2-[(2-methylpropylamino)methyl]pentyl]amino]ethanol (PubChem CID 107486622) has the molecular formula C15H32F2N2O and a molecular weight of 294.43 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[2-methyl-2-[(2-methylpropylamino)methyl]pentyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[2-methyl-2-[(2-methylpropylamino)methyl]pentyl]amino]ethanol
PubChem CID107486622
Molecular FormulaC15H32F2N2O
Molecular Weight294.43 g/mol
Exact Mass294.25
IUPAC Name2-[2,2-difluoroethyl-[2-methyl-2-[(2-methylpropylamino)methyl]pentyl]amino]ethanol
SMILESCCCC(C)(CNCC(C)C)CN(CCO)CC(F)F
InChIInChI=1S/C15H32F2N2O/c1-5-6-15(4,11-18-9-13(2)3)12-19(7-8-20)10-14(16)17/h13-14,18,20H,5-12H2,1-4H3
InChIKeyGPCRAVACDDRQEJ-UHFFFAOYSA-N
XLogP2.60
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.43
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2,2-difluoroethyl-[2-methyl-2-[(2-methylpropylamino)methyl]pentyl]amino]ethanol 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 2-[2,2-difluoroethyl-[2-methyl-2-[(2-methylpropylamino)methyl]pentyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[2-methyl-2-[(2-methylpropylamino)methyl]pentyl]amino]ethanol (CID 107486622) is 2-[2,2-difluoroethyl-[2-methyl-2-[(2-methylpropylamino)methyl]pentyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[2-methyl-2-[(2-methylpropylamino)methyl]pentyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[2-methyl-2-[(2-methylpropylamino)methyl]pentyl]amino]ethanol is CCCC(C)(CNCC(C)C)CN(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl-[2-methyl-2-[(2-methylpropylamino)methyl]pentyl]amino]ethanol?
The InChIKey is GPCRAVACDDRQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32F2N2O/c1-5-6-15(4,11-18-9-13(2)3)12-19(7-8-20)10-14(16)17/h13-14,18,20H,5-12H2,1-4H3.
What are the key properties of 2-[2,2-difluoroethyl-[2-methyl-2-[(2-methylpropylamino)methyl]pentyl]amino]ethanol?
2-[2,2-difluoroethyl-[2-methyl-2-[(2-methylpropylamino)methyl]pentyl]amino]ethanol has a molecular weight of 294.43 g/mol, XLogP of 2.60, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[2-methyl-2-[(2-methylpropylamino)methyl]pentyl]amino]ethanol is sourced from PubChem (CID 107486622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).