3-[(4-fluorophenyl)methylamino]-N,N-dimethylpropanamide

C12H17FN2O — CID 60926375

IUPAC3-[(4-fluorophenyl)methylamino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNCc1ccc(F)cc1
InChIInChI=1S/C12H17FN2O/c1-15(2)12(16)7-8-14-9-10-3-5-11(13)6-4-10/h3-6,14H,7-9H2,1-2H3
InChIKeyFVYMIUIUJBMTLI-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.39
Rot. Bonds5

About 3-[(4-fluorophenyl)methylamino]-N,N-dimethylpropanamide

3-[(4-fluorophenyl)methylamino]-N,N-dimethylpropanamide (PubChem CID 60926375) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylamino]-N,N-dimethylpropanamide
PubChem CID60926375
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name3-[(4-fluorophenyl)methylamino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNCc1ccc(F)cc1
InChIInChI=1S/C12H17FN2O/c1-15(2)12(16)7-8-14-9-10-3-5-11(13)6-4-10/h3-6,14H,7-9H2,1-2H3
InChIKeyFVYMIUIUJBMTLI-UHFFFAOYSA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide
CID 60926600
N,N-dimethyl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide
CID 54935244
4-[(4-chlorophenyl)methylamino]-N,N-dimethylbutanamide
CID 54941099
3-[(6-chloro-3-pyridinyl)methylamino]-N,N-dimethylpropanamide
CID 115678460
N,N-dimethyl-3-[(4-morpholin-4-ylphenyl)methylamino]propanamide
CID 60926491
N,N-dimethyl-3-[[4-(3-methylbutoxy)phenyl]methylamino]propanamide
CID 60926493
N,N-dimethyl-3-[(2,4,5-trifluorophenyl)methylamino]propanamide
CID 103792850
3-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]-N,N-dimethylpropanamide
CID 61104199
3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N,N-dimethylpropanamide
CID 81348231
2-[(4-fluorophenyl)methylamino]-N-methyl-N-propan-2-ylacetamide
CID 28581707
3-[[N-[(4-fluorophenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]-N,N-dimethylpropanamide
CID 111307176
3-[(4-fluorophenyl)methylamino]-N-(3-methylbutyl)propanamide
CID 109021206

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methylamino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(4-fluorophenyl)methylamino]-N,N-dimethylpropanamide (CID 60926375) is 3-[(4-fluorophenyl)methylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(4-fluorophenyl)methylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(4-fluorophenyl)methylamino]-N,N-dimethylpropanamide is CN(C)C(=O)CCNCc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methylamino]-N,N-dimethylpropanamide?
The InChIKey is FVYMIUIUJBMTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-15(2)12(16)7-8-14-9-10-3-5-11(13)6-4-10/h3-6,14H,7-9H2,1-2H3.
What are the key properties of 3-[(4-fluorophenyl)methylamino]-N,N-dimethylpropanamide?
3-[(4-fluorophenyl)methylamino]-N,N-dimethylpropanamide has a molecular weight of 224.28 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 60926375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).