2-[(2-amino-3,3-dimethylcyclohexyl)methyl-(2,2-difluoroethyl)amino]ethanol

C13H26F2N2O — CID 107486471

IUPAC2-[(2-amino-3,3-dimethylcyclohexyl)methyl-(2,2-difluoroethyl)amino]ethanol
SMILESCC1(C)CCCC(CN(CCO)CC(F)F)C1N
InChIInChI=1S/C13H26F2N2O/c1-13(2)5-3-4-10(12(13)16)8-17(6-7-18)9-11(14)15/h10-12,18H,3-9,16H2,1-2H3
InChIKeyUYRIOQAGZXRMSK-UHFFFAOYSA-N
MW264.36 g/mol
LogP1.70
Rot. Bonds6

About 2-[(2-amino-3,3-dimethylcyclohexyl)methyl-(2,2-difluoroethyl)amino]ethanol

2-[(2-amino-3,3-dimethylcyclohexyl)methyl-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107486471) has the molecular formula C13H26F2N2O and a molecular weight of 264.36 g/mol. Its IUPAC name is 2-[(2-amino-3,3-dimethylcyclohexyl)methyl-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-amino-3,3-dimethylcyclohexyl)methyl-(2,2-difluoroethyl)amino]ethanol
PubChem CID107486471
Molecular FormulaC13H26F2N2O
Molecular Weight264.36 g/mol
Exact Mass264.20
IUPAC Name2-[(2-amino-3,3-dimethylcyclohexyl)methyl-(2,2-difluoroethyl)amino]ethanol
SMILESCC1(C)CCCC(CN(CCO)CC(F)F)C1N
InChIInChI=1S/C13H26F2N2O/c1-13(2)5-3-4-10(12(13)16)8-17(6-7-18)9-11(14)15/h10-12,18H,3-9,16H2,1-2H3
InChIKeyUYRIOQAGZXRMSK-UHFFFAOYSA-N
XLogP1.70
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3,3-dimethylcyclohexyl)methyl-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[(2-amino-3,3-dimethylcyclohexyl)methyl-(2,2-difluoroethyl)amino]ethanol (CID 107486471) is 2-[(2-amino-3,3-dimethylcyclohexyl)methyl-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(2-amino-3,3-dimethylcyclohexyl)methyl-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(2-amino-3,3-dimethylcyclohexyl)methyl-(2,2-difluoroethyl)amino]ethanol is CC1(C)CCCC(CN(CCO)CC(F)F)C1N.
What is the InChIKey of 2-[(2-amino-3,3-dimethylcyclohexyl)methyl-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is UYRIOQAGZXRMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F2N2O/c1-13(2)5-3-4-10(12(13)16)8-17(6-7-18)9-11(14)15/h10-12,18H,3-9,16H2,1-2H3.
What are the key properties of 2-[(2-amino-3,3-dimethylcyclohexyl)methyl-(2,2-difluoroethyl)amino]ethanol?
2-[(2-amino-3,3-dimethylcyclohexyl)methyl-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 264.36 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3,3-dimethylcyclohexyl)methyl-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107486471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).