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

C13H26F2N2O — CID 107478861

IUPAC2-[[2-(aminomethyl)-5-ethylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol
SMILESCCC1CCC(CN)C(N(CCO)CC(F)F)C1
InChIInChI=1S/C13H26F2N2O/c1-2-10-3-4-11(8-16)12(7-10)17(5-6-18)9-13(14)15/h10-13,18H,2-9,16H2,1H3
InChIKeyNYJMIOIIKRAFKA-UHFFFAOYSA-N
MW264.36 g/mol
LogP1.70
Rot. Bonds7

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

2-[[2-(aminomethyl)-5-ethylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107478861) has the molecular formula C13H26F2N2O and a molecular weight of 264.36 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-5-ethylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol
PubChem CID107478861
Molecular FormulaC13H26F2N2O
Molecular Weight264.36 g/mol
Exact Mass264.20
IUPAC Name2-[[2-(aminomethyl)-5-ethylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol
SMILESCCC1CCC(CN)C(N(CCO)CC(F)F)C1
InChIInChI=1S/C13H26F2N2O/c1-2-10-3-4-11(8-16)12(7-10)17(5-6-18)9-13(14)15/h10-13,18H,2-9,16H2,1H3
InChIKeyNYJMIOIIKRAFKA-UHFFFAOYSA-N
XLogP1.70
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 99784563
CID 99784563
CID 134429802
CID 134429802
CID 134438317
CID 134438317
CID 63900870
CID 63900870
CID 64743390
CID 64743390
CID 64757655
CID 64757655
CID 64757768
CID 64757768
CID 64759205
CID 64759205
CID 64759490
CID 64759490
CID 65827255
CID 65827255
CID 65828022
CID 65828022
CID 65841042
CID 65841042

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol (CID 107478861) is 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol is CCC1CCC(CN)C(N(CCO)CC(F)F)C1.
What is the InChIKey of 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is NYJMIOIIKRAFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F2N2O/c1-2-10-3-4-11(8-16)12(7-10)17(5-6-18)9-13(14)15/h10-13,18H,2-9,16H2,1H3.
What are the key properties of 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol?
2-[[2-(aminomethyl)-5-ethylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 264.36 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107478861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).