2-[[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-N,N,2-trimethylpropanamide

C14H20F2N2O2 — CID 96547825

IUPAC2-[[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-N,N,2-trimethylpropanamide
SMILESCN(C)C(=O)C(C)(C)NC[C@@H](O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H20F2N2O2/c1-14(2,13(20)18(3)4)17-8-12(19)9-5-6-10(15)11(16)7-9/h5-7,12,17,19H,8H2,1-4H3/t12-/m1/s1
InChIKeyMELOUVJEMZYUSL-GFCCVEGCSA-N
MW286.32 g/mol
LogP1.45
Rot. Bonds5

About 2-[[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-N,N,2-trimethylpropanamide

2-[[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-N,N,2-trimethylpropanamide (PubChem CID 96547825) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is 2-[[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-N,N,2-trimethylpropanamide.

Molecular Properties

Compound Name2-[[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-N,N,2-trimethylpropanamide
PubChem CID96547825
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC Name2-[[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-N,N,2-trimethylpropanamide
SMILESCN(C)C(=O)C(C)(C)NC[C@@H](O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H20F2N2O2/c1-14(2,13(20)18(3)4)17-8-12(19)9-5-6-10(15)11(16)7-9/h5-7,12,17,19H,8H2,1-4H3/t12-/m1/s1
InChIKeyMELOUVJEMZYUSL-GFCCVEGCSA-N
XLogP1.45
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)-2-(4-methylanilino)ethanol
CID 60900534
1-(3,4-difluorophenyl)-2-[3-(dimethylamino)anilino]ethanol
CID 115377826
2-(4-chloroanilino)-1-(3,4-difluorophenyl)ethanol
CID 60898138
methyl (3R)-3-(3,4-difluorophenyl)-3-hydroxypropanoate
CID 138605518
1-(3,4-difluorophenyl)-2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanol
CID 111497164
methyl 2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-2-methylpropanoate
CID 111109844
(1R)-1-(3,4-difluorophenyl)propan-1-ol
CID 58995112
(1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol
CID 159931966
N-[1-(3,4-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 62732806
1-(3,4-difluorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60903531
2-[bis(2-methylpropyl)amino]-1-(3,4-difluorophenyl)ethanol
CID 82217067
3-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-N-ethylpropanamide
CID 115582033

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-N,N,2-trimethylpropanamide?
The IUPAC name of 2-[[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-N,N,2-trimethylpropanamide (CID 96547825) is 2-[[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-N,N,2-trimethylpropanamide.
What is the SMILES notation for 2-[[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-N,N,2-trimethylpropanamide?
The canonical SMILES for 2-[[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-N,N,2-trimethylpropanamide is CN(C)C(=O)C(C)(C)NC[C@@H](O)c1ccc(F)c(F)c1.
What is the InChIKey of 2-[[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-N,N,2-trimethylpropanamide?
The InChIKey is MELOUVJEMZYUSL-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-14(2,13(20)18(3)4)17-8-12(19)9-5-6-10(15)11(16)7-9/h5-7,12,17,19H,8H2,1-4H3/t12-/m1/s1.
What are the key properties of 2-[[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-N,N,2-trimethylpropanamide?
2-[[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-N,N,2-trimethylpropanamide has a molecular weight of 286.32 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-N,N,2-trimethylpropanamide is sourced from PubChem (CID 96547825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).