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

C14H28F2N2O — CID 107478879

IUPAC2-[[2-(aminomethyl)-5-propylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol
SMILESCCCC1CCC(CN)C(N(CCO)CC(F)F)C1
InChIInChI=1S/C14H28F2N2O/c1-2-3-11-4-5-12(9-17)13(8-11)18(6-7-19)10-14(15)16/h11-14,19H,2-10,17H2,1H3
InChIKeyORTJKRNDVBUGMZ-UHFFFAOYSA-N
MW278.39 g/mol
LogP2.09
Rot. Bonds8

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

2-[[2-(aminomethyl)-5-propylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107478879) has the molecular formula C14H28F2N2O and a molecular weight of 278.39 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-5-propylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-5-propylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol
PubChem CID107478879
Molecular FormulaC14H28F2N2O
Molecular Weight278.39 g/mol
Exact Mass278.22
IUPAC Name2-[[2-(aminomethyl)-5-propylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol
SMILESCCCC1CCC(CN)C(N(CCO)CC(F)F)C1
InChIInChI=1S/C14H28F2N2O/c1-2-3-11-4-5-12(9-17)13(8-11)18(6-7-19)10-14(15)16/h11-14,19H,2-10,17H2,1H3
InChIKeyORTJKRNDVBUGMZ-UHFFFAOYSA-N
XLogP2.09
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 52.09
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-propylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[[2-(aminomethyl)-5-propylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol (CID 107478879) is 2-[[2-(aminomethyl)-5-propylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[2-(aminomethyl)-5-propylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[2-(aminomethyl)-5-propylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol is CCCC1CCC(CN)C(N(CCO)CC(F)F)C1.
What is the InChIKey of 2-[[2-(aminomethyl)-5-propylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is ORTJKRNDVBUGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F2N2O/c1-2-3-11-4-5-12(9-17)13(8-11)18(6-7-19)10-14(15)16/h11-14,19H,2-10,17H2,1H3.
What are the key properties of 2-[[2-(aminomethyl)-5-propylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol?
2-[[2-(aminomethyl)-5-propylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 278.39 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-5-propylcyclohexyl]-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107478879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).