2-[2,2-difluoroethyl-[[3-(methylaminomethyl)oxan-3-yl]methyl]amino]ethanol

C12H24F2N2O2 — CID 107486619

IUPAC2-[2,2-difluoroethyl-[[3-(methylaminomethyl)oxan-3-yl]methyl]amino]ethanol
SMILESCNCC1(CN(CCO)CC(F)F)CCCOC1
InChIInChI=1S/C12H24F2N2O2/c1-15-8-12(3-2-6-18-10-12)9-16(4-5-17)7-11(13)14/h11,15,17H,2-10H2,1H3
InChIKeyXWKKECXVYJTBDC-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.56
Rot. Bonds8

About 2-[2,2-difluoroethyl-[[3-(methylaminomethyl)oxan-3-yl]methyl]amino]ethanol

2-[2,2-difluoroethyl-[[3-(methylaminomethyl)oxan-3-yl]methyl]amino]ethanol (PubChem CID 107486619) has the molecular formula C12H24F2N2O2 and a molecular weight of 266.33 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[[3-(methylaminomethyl)oxan-3-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[[3-(methylaminomethyl)oxan-3-yl]methyl]amino]ethanol
PubChem CID107486619
Molecular FormulaC12H24F2N2O2
Molecular Weight266.33 g/mol
Exact Mass266.18
IUPAC Name2-[2,2-difluoroethyl-[[3-(methylaminomethyl)oxan-3-yl]methyl]amino]ethanol
SMILESCNCC1(CN(CCO)CC(F)F)CCCOC1
InChIInChI=1S/C12H24F2N2O2/c1-15-8-12(3-2-6-18-10-12)9-16(4-5-17)7-11(13)14/h11,15,17H,2-10H2,1H3
InChIKeyXWKKECXVYJTBDC-UHFFFAOYSA-N
XLogP0.56
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2,2-difluoroethyl-[[3-(methylaminomethyl)oxan-3-yl]methyl]amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-(methylaminomethyl)oxan-3-yl]methyl-pentan-3-ylamino]ethanol
CID 63739818
2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-propylamino]ethanol
CID 62260430
2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486899
2-[2-hydroxyethyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]ethanol
CID 62255853
N-ethyl-2-methoxy-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine
CID 63739640
3-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(3-methylbutyl)butan-1-amine
CID 107871141
2-[ethyl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]ethanol
CID 62258450
N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]cyclopropanamine
CID 63741708
2-[2,2-difluoroethyl-[[1-(hydroxymethyl)-3-methylcyclohexyl]methyl]amino]ethanol
CID 107487176
N'-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 63740667
N-butyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-1-amine
CID 62262712
3-[cyclobutyl-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol
CID 102870858

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[[3-(methylaminomethyl)oxan-3-yl]methyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[[3-(methylaminomethyl)oxan-3-yl]methyl]amino]ethanol (CID 107486619) is 2-[2,2-difluoroethyl-[[3-(methylaminomethyl)oxan-3-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[[3-(methylaminomethyl)oxan-3-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[[3-(methylaminomethyl)oxan-3-yl]methyl]amino]ethanol is CNCC1(CN(CCO)CC(F)F)CCCOC1.
What is the InChIKey of 2-[2,2-difluoroethyl-[[3-(methylaminomethyl)oxan-3-yl]methyl]amino]ethanol?
The InChIKey is XWKKECXVYJTBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2N2O2/c1-15-8-12(3-2-6-18-10-12)9-16(4-5-17)7-11(13)14/h11,15,17H,2-10H2,1H3.
What are the key properties of 2-[2,2-difluoroethyl-[[3-(methylaminomethyl)oxan-3-yl]methyl]amino]ethanol?
2-[2,2-difluoroethyl-[[3-(methylaminomethyl)oxan-3-yl]methyl]amino]ethanol has a molecular weight of 266.33 g/mol, XLogP of 0.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[[3-(methylaminomethyl)oxan-3-yl]methyl]amino]ethanol is sourced from PubChem (CID 107486619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).