2-[2-(aminomethyl)-N-(2,2-difluoroethyl)-6-methylanilino]ethanol

C12H18F2N2O — CID 107478449

IUPAC2-[2-(aminomethyl)-N-(2,2-difluoroethyl)-6-methylanilino]ethanol
SMILESCc1cccc(CN)c1N(CCO)CC(F)F
InChIInChI=1S/C12H18F2N2O/c1-9-3-2-4-10(7-15)12(9)16(5-6-17)8-11(13)14/h2-4,11,17H,5-8,15H2,1H3
InChIKeyLNYOCSBSUSSXAU-UHFFFAOYSA-N
MW244.28 g/mol
LogP1.52
Rot. Bonds6

About 2-[2-(aminomethyl)-N-(2,2-difluoroethyl)-6-methylanilino]ethanol

2-[2-(aminomethyl)-N-(2,2-difluoroethyl)-6-methylanilino]ethanol (PubChem CID 107478449) has the molecular formula C12H18F2N2O and a molecular weight of 244.28 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-N-(2,2-difluoroethyl)-6-methylanilino]ethanol.

Molecular Properties

Compound Name2-[2-(aminomethyl)-N-(2,2-difluoroethyl)-6-methylanilino]ethanol
PubChem CID107478449
Molecular FormulaC12H18F2N2O
Molecular Weight244.28 g/mol
Exact Mass244.14
IUPAC Name2-[2-(aminomethyl)-N-(2,2-difluoroethyl)-6-methylanilino]ethanol
SMILESCc1cccc(CN)c1N(CCO)CC(F)F
InChIInChI=1S/C12H18F2N2O/c1-9-3-2-4-10(7-15)12(9)16(5-6-17)8-11(13)14/h2-4,11,17H,5-8,15H2,1H3
InChIKeyLNYOCSBSUSSXAU-UHFFFAOYSA-N
XLogP1.52
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(aminomethyl)-N-ethyl-6-methylanilino]propan-1-ol
CID 107105813
2-[[3-(aminomethyl)-2-pyridinyl]-(2,2-difluoroethyl)amino]ethanol
CID 107478427
2-[2-(aminomethyl)-N,6-dimethylanilino]propan-1-ol
CID 107105810
2-(aminomethyl)-N,6-dimethyl-N-(2-methylpropyl)aniline
CID 107105504
2-[2-(aminomethyl)-3-bromo-N-(2,2-difluoroethyl)anilino]ethanol
CID 107478448
2-[2,2-difluoroethyl-[(2,6-dimethylphenyl)methyl]amino]ethanol
CID 107485375
2-[2-[bis(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)-3-methylanilino]ethanol
CID 6452801
2-[4-(aminomethyl)-N-(2-hydroxyethyl)-3-methylanilino]ethanol
CID 81273324
2-[2-(aminomethyl)phenyl]-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
CID 107479418
2-[2-[(1R)-1-aminoethyl]-N-(2,2-difluoroethyl)anilino]ethanol
CID 107480549
2-[2,2-difluoroethyl-[3-(hydroxymethyl)-2-pyridinyl]amino]ethanol
CID 107484642
2-[[4-(aminomethyl)pyrimidin-2-yl]-(2,2-difluoroethyl)amino]ethanol
CID 107542342

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-N-(2,2-difluoroethyl)-6-methylanilino]ethanol?
The IUPAC name of 2-[2-(aminomethyl)-N-(2,2-difluoroethyl)-6-methylanilino]ethanol (CID 107478449) is 2-[2-(aminomethyl)-N-(2,2-difluoroethyl)-6-methylanilino]ethanol.
What is the SMILES notation for 2-[2-(aminomethyl)-N-(2,2-difluoroethyl)-6-methylanilino]ethanol?
The canonical SMILES for 2-[2-(aminomethyl)-N-(2,2-difluoroethyl)-6-methylanilino]ethanol is Cc1cccc(CN)c1N(CCO)CC(F)F.
What is the InChIKey of 2-[2-(aminomethyl)-N-(2,2-difluoroethyl)-6-methylanilino]ethanol?
The InChIKey is LNYOCSBSUSSXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O/c1-9-3-2-4-10(7-15)12(9)16(5-6-17)8-11(13)14/h2-4,11,17H,5-8,15H2,1H3.
What are the key properties of 2-[2-(aminomethyl)-N-(2,2-difluoroethyl)-6-methylanilino]ethanol?
2-[2-(aminomethyl)-N-(2,2-difluoroethyl)-6-methylanilino]ethanol has a molecular weight of 244.28 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-N-(2,2-difluoroethyl)-6-methylanilino]ethanol is sourced from PubChem (CID 107478449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).