3-[[(1R)-1-[2-(dimethylamino)-4-fluorophenyl]ethyl]amino]-2,2-dimethylpropanamide

C15H24FN3O — CID 99853754

IUPAC3-[[(1R)-1-[2-(dimethylamino)-4-fluorophenyl]ethyl]amino]-2,2-dimethylpropanamide
SMILESC[C@@H](NCC(C)(C)C(N)=O)c1ccc(F)cc1N(C)C
InChIInChI=1S/C15H24FN3O/c1-10(18-9-15(2,3)14(17)20)12-7-6-11(16)8-13(12)19(4)5/h6-8,10,18H,9H2,1-5H3,(H2,17,20)/t10-/m1/s1
InChIKeyOSMMHTVYLADXAI-SNVBAGLBSA-N
MW281.38 g/mol
LogP2.05
Rot. Bonds6

About 3-[[(1R)-1-[2-(dimethylamino)-4-fluorophenyl]ethyl]amino]-2,2-dimethylpropanamide

3-[[(1R)-1-[2-(dimethylamino)-4-fluorophenyl]ethyl]amino]-2,2-dimethylpropanamide (PubChem CID 99853754) has the molecular formula C15H24FN3O and a molecular weight of 281.38 g/mol. Its IUPAC name is 3-[[(1R)-1-[2-(dimethylamino)-4-fluorophenyl]ethyl]amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[(1R)-1-[2-(dimethylamino)-4-fluorophenyl]ethyl]amino]-2,2-dimethylpropanamide
PubChem CID99853754
Molecular FormulaC15H24FN3O
Molecular Weight281.38 g/mol
Exact Mass281.19
IUPAC Name3-[[(1R)-1-[2-(dimethylamino)-4-fluorophenyl]ethyl]amino]-2,2-dimethylpropanamide
SMILESC[C@@H](NCC(C)(C)C(N)=O)c1ccc(F)cc1N(C)C
InChIInChI=1S/C15H24FN3O/c1-10(18-9-15(2,3)14(17)20)12-7-6-11(16)8-13(12)19(4)5/h6-8,10,18H,9H2,1-5H3,(H2,17,20)/t10-/m1/s1
InChIKeyOSMMHTVYLADXAI-SNVBAGLBSA-N
XLogP2.05
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(1S)-1-[2-(dimethylamino)-4-fluorophenyl]ethyl]amino]-N,2,2-trimethylpropanamide
CID 99821730
3-[[(1R)-1-(2,4-dibromophenyl)ethyl]amino]-2,2-dimethylpropanamide
CID 97258604
3-[1-(5-fluoro-2-pyridinyl)ethylamino]-2,2-dimethylpropanamide
CID 103917149
3-[1-(2,6-difluorophenyl)ethylamino]-2,2-dimethylpropanamide
CID 113383872
2,2-dimethyl-3-(1-phenylethylamino)propanamide
CID 115667918
ethyl 2-[2-(dimethylamino)-4-fluorophenyl]-2-hydroxyacetate
CID 117108833
1-N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43767797
2,2-dimethyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanamide
CID 103917195
5-fluoro-N,N-dimethyl-2-[1-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl]aniline
CID 75427897
N-[1-(2,4-difluorophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine
CID 113245730
methyl 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2,2-dimethylpropanoate
CID 81348035
3-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2,2-dimethylpropanamide
CID 99821538

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-[2-(dimethylamino)-4-fluorophenyl]ethyl]amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[[(1R)-1-[2-(dimethylamino)-4-fluorophenyl]ethyl]amino]-2,2-dimethylpropanamide (CID 99853754) is 3-[[(1R)-1-[2-(dimethylamino)-4-fluorophenyl]ethyl]amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[(1R)-1-[2-(dimethylamino)-4-fluorophenyl]ethyl]amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[(1R)-1-[2-(dimethylamino)-4-fluorophenyl]ethyl]amino]-2,2-dimethylpropanamide is C[C@@H](NCC(C)(C)C(N)=O)c1ccc(F)cc1N(C)C.
What is the InChIKey of 3-[[(1R)-1-[2-(dimethylamino)-4-fluorophenyl]ethyl]amino]-2,2-dimethylpropanamide?
The InChIKey is OSMMHTVYLADXAI-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-10(18-9-15(2,3)14(17)20)12-7-6-11(16)8-13(12)19(4)5/h6-8,10,18H,9H2,1-5H3,(H2,17,20)/t10-/m1/s1.
What are the key properties of 3-[[(1R)-1-[2-(dimethylamino)-4-fluorophenyl]ethyl]amino]-2,2-dimethylpropanamide?
3-[[(1R)-1-[2-(dimethylamino)-4-fluorophenyl]ethyl]amino]-2,2-dimethylpropanamide has a molecular weight of 281.38 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-1-[2-(dimethylamino)-4-fluorophenyl]ethyl]amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 99853754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).