2-[2,2-difluoroethyl-[(2,6-dimethylphenyl)methyl]amino]ethanol

C13H19F2NO — CID 107485375

IUPAC2-[2,2-difluoroethyl-[(2,6-dimethylphenyl)methyl]amino]ethanol
SMILESCc1cccc(C)c1CN(CCO)CC(F)F
InChIInChI=1S/C13H19F2NO/c1-10-4-3-5-11(2)12(10)8-16(6-7-17)9-13(14)15/h3-5,13,17H,6-9H2,1-2H3
InChIKeyCLKRCHHPIBDXND-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.36
Rot. Bonds6

About 2-[2,2-difluoroethyl-[(2,6-dimethylphenyl)methyl]amino]ethanol

2-[2,2-difluoroethyl-[(2,6-dimethylphenyl)methyl]amino]ethanol (PubChem CID 107485375) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[(2,6-dimethylphenyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[(2,6-dimethylphenyl)methyl]amino]ethanol
PubChem CID107485375
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name2-[2,2-difluoroethyl-[(2,6-dimethylphenyl)methyl]amino]ethanol
SMILESCc1cccc(C)c1CN(CCO)CC(F)F
InChIInChI=1S/C13H19F2NO/c1-10-4-3-5-11(2)12(10)8-16(6-7-17)9-13(14)15/h3-5,13,17H,6-9H2,1-2H3
InChIKeyCLKRCHHPIBDXND-UHFFFAOYSA-N
XLogP2.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloroethyl)-N-[(2,6-dimethylphenyl)methyl]-2,2-difluoroethanamine
CID 107487813
2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107484946
2-[(2-amino-6-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107478617
2-[(4-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107484838
2-[(2-chloro-4-methylphenyl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107485069
2-[2,2-difluoroethyl-[[6-(propylamino)-2-pyridinyl]methyl]amino]ethanol
CID 107486212
3-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]benzenecarbothioamide
CID 107479915
2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]benzoic acid
CID 107480825
2-[2,2-difluoroethyl-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol
CID 107485272
2-[2-(aminomethyl)-N-(2,2-difluoroethyl)-6-methylanilino]ethanol
CID 107478449
2-[2,2-difluoroethyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]ethanol
CID 107485053
methyl 2-amino-6-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]benzoate
CID 107478541

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[(2,6-dimethylphenyl)methyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[(2,6-dimethylphenyl)methyl]amino]ethanol (CID 107485375) is 2-[2,2-difluoroethyl-[(2,6-dimethylphenyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[(2,6-dimethylphenyl)methyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[(2,6-dimethylphenyl)methyl]amino]ethanol is Cc1cccc(C)c1CN(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl-[(2,6-dimethylphenyl)methyl]amino]ethanol?
The InChIKey is CLKRCHHPIBDXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-10-4-3-5-11(2)12(10)8-16(6-7-17)9-13(14)15/h3-5,13,17H,6-9H2,1-2H3.
What are the key properties of 2-[2,2-difluoroethyl-[(2,6-dimethylphenyl)methyl]amino]ethanol?
2-[2,2-difluoroethyl-[(2,6-dimethylphenyl)methyl]amino]ethanol has a molecular weight of 243.30 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[(2,6-dimethylphenyl)methyl]amino]ethanol is sourced from PubChem (CID 107485375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).