3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N,N-dimethylpropanamide

C13H19FN2O — CID 81348231

IUPAC3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N,N-dimethylpropanamide
SMILESC[C@@H](NCCC(=O)N(C)C)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O/c1-10(11-4-6-12(14)7-5-11)15-9-8-13(17)16(2)3/h4-7,10,15H,8-9H2,1-3H3/t10-/m1/s1
InChIKeyKFFAHZDWCLOFEA-SNVBAGLBSA-N
MW238.31 g/mol
LogP1.95
Rot. Bonds5

About 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N,N-dimethylpropanamide

3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N,N-dimethylpropanamide (PubChem CID 81348231) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N,N-dimethylpropanamide
PubChem CID81348231
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N,N-dimethylpropanamide
SMILESC[C@@H](NCCC(=O)N(C)C)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O/c1-10(11-4-6-12(14)7-5-11)15-9-8-13(17)16(2)3/h4-7,10,15H,8-9H2,1-3H3/t10-/m1/s1
InChIKeyKFFAHZDWCLOFEA-SNVBAGLBSA-N
XLogP1.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 54935284
2-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylacetamide
CID 43214641
3-[1-(4-fluorophenyl)ethylamino]propanoic acid
CID 43087255
N,N-dimethyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]propanamide
CID 60926719
3-[1-(4-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 54934759
N,N-dimethyl-3-[1-(4-methylsulfonylphenyl)ethylamino]propanamide
CID 60925806
3-[1-(4-cyanophenyl)ethylamino]-N,N-dimethylpropanamide
CID 54934619
ethyl 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]propanoate
CID 81348224
3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-dimethylpropanamide
CID 54934632
N,N-dimethyl-4-[[(1R)-1-(4-methylphenyl)ethyl]amino]butanamide
CID 81356992
N-ethyl-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide
CID 81347490
N-[1-(4-fluorophenyl)ethyl]-3-methylbut-3-en-1-amine
CID 114449108

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N,N-dimethylpropanamide (CID 81348231) is 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N,N-dimethylpropanamide is C[C@@H](NCCC(=O)N(C)C)c1ccc(F)cc1.
What is the InChIKey of 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N,N-dimethylpropanamide?
The InChIKey is KFFAHZDWCLOFEA-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-10(11-4-6-12(14)7-5-11)15-9-8-13(17)16(2)3/h4-7,10,15H,8-9H2,1-3H3/t10-/m1/s1.
What are the key properties of 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N,N-dimethylpropanamide?
3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N,N-dimethylpropanamide has a molecular weight of 238.31 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 81348231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).