N-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]-N-methylacetamide

C13H19FN2O — CID 104923539

IUPACN-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]-N-methylacetamide
SMILESCCN(C)C(=O)CNCc1cc(C)ccc1F
InChIInChI=1S/C13H19FN2O/c1-4-16(3)13(17)9-15-8-11-7-10(2)5-6-12(11)14/h5-7,15H,4,8-9H2,1-3H3
InChIKeyWTFBTSRUOMRZGJ-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.70
Rot. Bonds5

About N-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]-N-methylacetamide

N-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]-N-methylacetamide (PubChem CID 104923539) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]-N-methylacetamide
PubChem CID104923539
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]-N-methylacetamide
SMILESCCN(C)C(=O)CNCc1cc(C)ccc1F
InChIInChI=1S/C13H19FN2O/c1-4-16(3)13(17)9-15-8-11-7-10(2)5-6-12(11)14/h5-7,15H,4,8-9H2,1-3H3
InChIKeyWTFBTSRUOMRZGJ-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]acetamide
CID 115632183
N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 61033867
2-[(3-cyano-4-fluorophenyl)methylamino]-N-ethyl-N-methylacetamide
CID 107781579
3-[(2-fluoro-5-methylphenyl)methyl]-1-hydroxy-1-methylurea
CID 59946035
N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 61033992
2-[(2-chlorophenyl)methylamino]-N-ethyl-N-methylacetamide
CID 43309591
2-[(2,3-dihydroxyphenyl)methylamino]-N-ethyl-N-methylacetamide
CID 114132352
N-ethyl-N-methyl-2-[(3-methyl-4-pyridinyl)methylamino]acetamide
CID 114699647
N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methylamino]-N-methylacetamide
CID 114132777
N,N-diethyl-2-[(2-fluorophenyl)methylamino]acetamide
CID 28582548
N'-ethyl-N-[(2-fluoro-5-methylphenyl)methyl]-N'-propylethane-1,2-diamine
CID 103720816
2-[(2-chloro-4-methylphenyl)methylamino]-N,N-diethylacetamide
CID 106863102

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]-N-methylacetamide?
The IUPAC name of N-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]-N-methylacetamide (CID 104923539) is N-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]-N-methylacetamide.
What is the SMILES notation for N-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]-N-methylacetamide?
The canonical SMILES for N-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]-N-methylacetamide is CCN(C)C(=O)CNCc1cc(C)ccc1F.
What is the InChIKey of N-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]-N-methylacetamide?
The InChIKey is WTFBTSRUOMRZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-4-16(3)13(17)9-15-8-11-7-10(2)5-6-12(11)14/h5-7,15H,4,8-9H2,1-3H3.
What are the key properties of N-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]-N-methylacetamide?
N-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]-N-methylacetamide has a molecular weight of 238.31 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]-N-methylacetamide is sourced from PubChem (CID 104923539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).