2-[2-[(1R)-1-aminoethyl]-N-(2,2-difluoroethyl)anilino]ethanol

C12H18F2N2O — CID 107480549

IUPAC2-[2-[(1R)-1-aminoethyl]-N-(2,2-difluoroethyl)anilino]ethanol
SMILESC[C@@H](N)c1ccccc1N(CCO)CC(F)F
InChIInChI=1S/C12H18F2N2O/c1-9(15)10-4-2-3-5-11(10)16(6-7-17)8-12(13)14/h2-5,9,12,17H,6-8,15H2,1H3/t9-/m1/s1
InChIKeyCEZJKLSVUWEWMI-SECBINFHSA-N
MW244.28 g/mol
LogP1.77
Rot. Bonds6

About 2-[2-[(1R)-1-aminoethyl]-N-(2,2-difluoroethyl)anilino]ethanol

2-[2-[(1R)-1-aminoethyl]-N-(2,2-difluoroethyl)anilino]ethanol (PubChem CID 107480549) has the molecular formula C12H18F2N2O and a molecular weight of 244.28 g/mol. Its IUPAC name is 2-[2-[(1R)-1-aminoethyl]-N-(2,2-difluoroethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[2-[(1R)-1-aminoethyl]-N-(2,2-difluoroethyl)anilino]ethanol
PubChem CID107480549
Molecular FormulaC12H18F2N2O
Molecular Weight244.28 g/mol
Exact Mass244.14
IUPAC Name2-[2-[(1R)-1-aminoethyl]-N-(2,2-difluoroethyl)anilino]ethanol
SMILESC[C@@H](N)c1ccccc1N(CCO)CC(F)F
InChIInChI=1S/C12H18F2N2O/c1-9(15)10-4-2-3-5-11(10)16(6-7-17)8-12(13)14/h2-5,9,12,17H,6-8,15H2,1H3/t9-/m1/s1
InChIKeyCEZJKLSVUWEWMI-SECBINFHSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]phenyl]propan-1-ol
CID 107480997
2-[2-[(1R)-1-aminoethyl]-N-ethylanilino]ethanol
CID 78934890
2-[2-[(1R)-1-aminoethyl]-N-propan-2-ylanilino]ethanol
CID 78935304
2-[4-(1-aminoethyl)-2-chloro-N-(2,2-difluoroethyl)anilino]ethanol
CID 107480561
2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline
CID 54987089
2-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylpropyl)aniline
CID 78935741
2-[2-(1-aminopropyl)-N-ethylanilino]ethanol
CID 112677936
2-[2-[(1S)-1-aminoethyl]-N-cyclopropylanilino]ethanol
CID 63368640
2-[2-[(1R)-1-aminoethyl]-N-cyclopropylanilino]ethanol
CID 78935565
2-[2-(aminomethyl)-3-bromo-N-(2,2-difluoroethyl)anilino]ethanol
CID 107478448
1-[2-[(1S)-1-aminoethyl]-N-methylanilino]propan-2-ol
CID 63368989
1-[2-[(1R)-1-aminoethyl]-N-methylanilino]propan-2-ol
CID 78935252

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R)-1-aminoethyl]-N-(2,2-difluoroethyl)anilino]ethanol?
The IUPAC name of 2-[2-[(1R)-1-aminoethyl]-N-(2,2-difluoroethyl)anilino]ethanol (CID 107480549) is 2-[2-[(1R)-1-aminoethyl]-N-(2,2-difluoroethyl)anilino]ethanol.
What is the SMILES notation for 2-[2-[(1R)-1-aminoethyl]-N-(2,2-difluoroethyl)anilino]ethanol?
The canonical SMILES for 2-[2-[(1R)-1-aminoethyl]-N-(2,2-difluoroethyl)anilino]ethanol is C[C@@H](N)c1ccccc1N(CCO)CC(F)F.
What is the InChIKey of 2-[2-[(1R)-1-aminoethyl]-N-(2,2-difluoroethyl)anilino]ethanol?
The InChIKey is CEZJKLSVUWEWMI-SECBINFHSA-N. The full InChI is InChI=1S/C12H18F2N2O/c1-9(15)10-4-2-3-5-11(10)16(6-7-17)8-12(13)14/h2-5,9,12,17H,6-8,15H2,1H3/t9-/m1/s1.
What are the key properties of 2-[2-[(1R)-1-aminoethyl]-N-(2,2-difluoroethyl)anilino]ethanol?
2-[2-[(1R)-1-aminoethyl]-N-(2,2-difluoroethyl)anilino]ethanol has a molecular weight of 244.28 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R)-1-aminoethyl]-N-(2,2-difluoroethyl)anilino]ethanol is sourced from PubChem (CID 107480549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).