2-[[2-(aminomethyl)-5-methylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol

C12H24F2N2O — CID 107478855

IUPAC2-[[2-(aminomethyl)-5-methylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol
SMILESCC1CCC(CN)C(N(CCO)CC(F)F)C1
InChIInChI=1S/C12H24F2N2O/c1-9-2-3-10(7-15)11(6-9)16(4-5-17)8-12(13)14/h9-12,17H,2-8,15H2,1H3
InChIKeyKGUYDHMJIYJGCK-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.31
Rot. Bonds6

About 2-[[2-(aminomethyl)-5-methylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol

2-[[2-(aminomethyl)-5-methylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107478855) has the molecular formula C12H24F2N2O and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-5-methylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-5-methylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol
PubChem CID107478855
Molecular FormulaC12H24F2N2O
Molecular Weight250.33 g/mol
Exact Mass250.19
IUPAC Name2-[[2-(aminomethyl)-5-methylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol
SMILESCC1CCC(CN)C(N(CCO)CC(F)F)C1
InChIInChI=1S/C12H24F2N2O/c1-9-2-3-10(7-15)11(6-9)16(4-5-17)8-12(13)14/h9-12,17H,2-8,15H2,1H3
InChIKeyKGUYDHMJIYJGCK-UHFFFAOYSA-N
XLogP1.31
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
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)-5-methylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[[2-(aminomethyl)-5-methylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol (CID 107478855) is 2-[[2-(aminomethyl)-5-methylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[2-(aminomethyl)-5-methylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[2-(aminomethyl)-5-methylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol is CC1CCC(CN)C(N(CCO)CC(F)F)C1.
What is the InChIKey of 2-[[2-(aminomethyl)-5-methylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is KGUYDHMJIYJGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2N2O/c1-9-2-3-10(7-15)11(6-9)16(4-5-17)8-12(13)14/h9-12,17H,2-8,15H2,1H3.
What are the key properties of 2-[[2-(aminomethyl)-5-methylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol?
2-[[2-(aminomethyl)-5-methylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 250.33 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-5-methylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107478855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).