2-[[2-(aminomethyl)-2-methylpentyl]-(2,2-difluoroethyl)amino]ethanol

C11H24F2N2O — CID 107486600

IUPAC2-[[2-(aminomethyl)-2-methylpentyl]-(2,2-difluoroethyl)amino]ethanol
SMILESCCCC(C)(CN)CN(CCO)CC(F)F
InChIInChI=1S/C11H24F2N2O/c1-3-4-11(2,8-14)9-15(5-6-16)7-10(12)13/h10,16H,3-9,14H2,1-2H3
InChIKeyVVLYVPLEQGTUQK-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.31
Rot. Bonds9

About 2-[[2-(aminomethyl)-2-methylpentyl]-(2,2-difluoroethyl)amino]ethanol

2-[[2-(aminomethyl)-2-methylpentyl]-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107486600) has the molecular formula C11H24F2N2O and a molecular weight of 238.32 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-2-methylpentyl]-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-2-methylpentyl]-(2,2-difluoroethyl)amino]ethanol
PubChem CID107486600
Molecular FormulaC11H24F2N2O
Molecular Weight238.32 g/mol
Exact Mass238.19
IUPAC Name2-[[2-(aminomethyl)-2-methylpentyl]-(2,2-difluoroethyl)amino]ethanol
SMILESCCCC(C)(CN)CN(CCO)CC(F)F
InChIInChI=1S/C11H24F2N2O/c1-3-4-11(2,8-14)9-15(5-6-16)7-10(12)13/h10,16H,3-9,14H2,1-2H3
InChIKeyVVLYVPLEQGTUQK-UHFFFAOYSA-N
XLogP1.31
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)-2-methylpentyl]-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[[2-(aminomethyl)-2-methylpentyl]-(2,2-difluoroethyl)amino]ethanol (CID 107486600) is 2-[[2-(aminomethyl)-2-methylpentyl]-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[2-(aminomethyl)-2-methylpentyl]-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[2-(aminomethyl)-2-methylpentyl]-(2,2-difluoroethyl)amino]ethanol is CCCC(C)(CN)CN(CCO)CC(F)F.
What is the InChIKey of 2-[[2-(aminomethyl)-2-methylpentyl]-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is VVLYVPLEQGTUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24F2N2O/c1-3-4-11(2,8-14)9-15(5-6-16)7-10(12)13/h10,16H,3-9,14H2,1-2H3.
What are the key properties of 2-[[2-(aminomethyl)-2-methylpentyl]-(2,2-difluoroethyl)amino]ethanol?
2-[[2-(aminomethyl)-2-methylpentyl]-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 238.32 g/mol, XLogP of 1.31, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-2-methylpentyl]-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107486600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).