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

C11H22F2N2O — CID 107478865

IUPAC2-[[2-(aminomethyl)cyclohexyl]-(2,2-difluoroethyl)amino]ethanol
SMILESNCC1CCCCC1N(CCO)CC(F)F
InChIInChI=1S/C11H22F2N2O/c12-11(13)8-15(5-6-16)10-4-2-1-3-9(10)7-14/h9-11,16H,1-8,14H2
InChIKeyAKGJPDXCWBTPLW-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.06
Rot. Bonds6

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

2-[[2-(aminomethyl)cyclohexyl]-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107478865) has the molecular formula C11H22F2N2O and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)cyclohexyl]-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2-(aminomethyl)cyclohexyl]-(2,2-difluoroethyl)amino]ethanol
PubChem CID107478865
Molecular FormulaC11H22F2N2O
Molecular Weight236.31 g/mol
Exact Mass236.17
IUPAC Name2-[[2-(aminomethyl)cyclohexyl]-(2,2-difluoroethyl)amino]ethanol
SMILESNCC1CCCCC1N(CCO)CC(F)F
InChIInChI=1S/C11H22F2N2O/c12-11(13)8-15(5-6-16)10-4-2-1-3-9(10)7-14/h9-11,16H,1-8,14H2
InChIKeyAKGJPDXCWBTPLW-UHFFFAOYSA-N
XLogP1.06
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)cyclohexyl]-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[[2-(aminomethyl)cyclohexyl]-(2,2-difluoroethyl)amino]ethanol (CID 107478865) is 2-[[2-(aminomethyl)cyclohexyl]-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[2-(aminomethyl)cyclohexyl]-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[2-(aminomethyl)cyclohexyl]-(2,2-difluoroethyl)amino]ethanol is NCC1CCCCC1N(CCO)CC(F)F.
What is the InChIKey of 2-[[2-(aminomethyl)cyclohexyl]-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is AKGJPDXCWBTPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2O/c12-11(13)8-15(5-6-16)10-4-2-1-3-9(10)7-14/h9-11,16H,1-8,14H2.
What are the key properties of 2-[[2-(aminomethyl)cyclohexyl]-(2,2-difluoroethyl)amino]ethanol?
2-[[2-(aminomethyl)cyclohexyl]-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 236.31 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)cyclohexyl]-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107478865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).