2-[2,2-difluoroethyl-[[2-(methylamino)cycloheptyl]methyl]amino]ethanol

C13H26F2N2O — CID 107486535

IUPAC2-[2,2-difluoroethyl-[[2-(methylamino)cycloheptyl]methyl]amino]ethanol
SMILESCNC1CCCCCC1CN(CCO)CC(F)F
InChIInChI=1S/C13H26F2N2O/c1-16-12-6-4-2-3-5-11(12)9-17(7-8-18)10-13(14)15/h11-13,16,18H,2-10H2,1H3
InChIKeyUQZWJGYPAKUCQJ-UHFFFAOYSA-N
MW264.36 g/mol
LogP1.71
Rot. Bonds7

About 2-[2,2-difluoroethyl-[[2-(methylamino)cycloheptyl]methyl]amino]ethanol

2-[2,2-difluoroethyl-[[2-(methylamino)cycloheptyl]methyl]amino]ethanol (PubChem CID 107486535) has the molecular formula C13H26F2N2O and a molecular weight of 264.36 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[[2-(methylamino)cycloheptyl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[[2-(methylamino)cycloheptyl]methyl]amino]ethanol
PubChem CID107486535
Molecular FormulaC13H26F2N2O
Molecular Weight264.36 g/mol
Exact Mass264.20
IUPAC Name2-[2,2-difluoroethyl-[[2-(methylamino)cycloheptyl]methyl]amino]ethanol
SMILESCNC1CCCCCC1CN(CCO)CC(F)F
InChIInChI=1S/C13H26F2N2O/c1-16-12-6-4-2-3-5-11(12)9-17(7-8-18)10-13(14)15/h11-13,16,18H,2-10H2,1H3
InChIKeyUQZWJGYPAKUCQJ-UHFFFAOYSA-N
XLogP1.71
TPSA35.50 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 ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,2-difluoroethyl-[[2-(methylamino)-5-propylcyclohexyl]methyl]amino]ethanol
CID 107486531
2-[cyclobutyl-[[2-(methylamino)cyclohexyl]methyl]amino]ethanol
CID 102870950
2-[[ethyl(2-methylpropyl)amino]methyl]-N-methylcycloheptan-1-amine
CID 62614308
3-[[2-(methylamino)cyclohexyl]methyl-propan-2-ylamino]propan-1-ol
CID 62614618
2-[2,2-difluoroethyl-[[2-(ethylamino)-5-methylcyclohexyl]methyl]amino]ethanol
CID 107486480
N,N,N'-triethyl-N'-[[2-(methylamino)cyclohexyl]methyl]propane-1,3-diamine
CID 102997195
2-[2,2-difluoroethyl-[[2-(ethylamino)-5-propan-2-ylcyclohexyl]methyl]amino]ethanol
CID 107486534
2-ethyl-N-methylcycloheptan-1-amine;propan-1-ol
CID 71071435
N-methyl-N-[[2-(methylamino)cyclohexyl]methyl]cycloheptanamine
CID 62614949
2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-N-methylcycloheptan-1-amine
CID 62611410
2-[[ethyl(2-methoxyethyl)amino]methyl]-N-methylcyclohexan-1-amine
CID 62616551
2-[2,2-difluoroethyl(piperidin-3-ylmethyl)amino]ethanol
CID 107494945

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[[2-(methylamino)cycloheptyl]methyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[[2-(methylamino)cycloheptyl]methyl]amino]ethanol (CID 107486535) is 2-[2,2-difluoroethyl-[[2-(methylamino)cycloheptyl]methyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[[2-(methylamino)cycloheptyl]methyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[[2-(methylamino)cycloheptyl]methyl]amino]ethanol is CNC1CCCCCC1CN(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl-[[2-(methylamino)cycloheptyl]methyl]amino]ethanol?
The InChIKey is UQZWJGYPAKUCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F2N2O/c1-16-12-6-4-2-3-5-11(12)9-17(7-8-18)10-13(14)15/h11-13,16,18H,2-10H2,1H3.
What are the key properties of 2-[2,2-difluoroethyl-[[2-(methylamino)cycloheptyl]methyl]amino]ethanol?
2-[2,2-difluoroethyl-[[2-(methylamino)cycloheptyl]methyl]amino]ethanol has a molecular weight of 264.36 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[[2-(methylamino)cycloheptyl]methyl]amino]ethanol is sourced from PubChem (CID 107486535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).