N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methylamino]-N-methylacetamide

C13H19FN2O2 — CID 114132777

IUPACN-ethyl-2-[(2-fluoro-3-methoxyphenyl)methylamino]-N-methylacetamide
SMILESCCN(C)C(=O)CNCc1cccc(OC)c1F
InChIInChI=1S/C13H19FN2O2/c1-4-16(2)12(17)9-15-8-10-6-5-7-11(18-3)13(10)14/h5-7,15H,4,8-9H2,1-3H3
InChIKeyKNWOTEVEJCWZHE-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.40
Rot. Bonds6

About N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methylamino]-N-methylacetamide

N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methylamino]-N-methylacetamide (PubChem CID 114132777) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[(2-fluoro-3-methoxyphenyl)methylamino]-N-methylacetamide
PubChem CID114132777
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC NameN-ethyl-2-[(2-fluoro-3-methoxyphenyl)methylamino]-N-methylacetamide
SMILESCCN(C)C(=O)CNCc1cccc(OC)c1F
InChIInChI=1S/C13H19FN2O2/c1-4-16(2)12(17)9-15-8-10-6-5-7-11(18-3)13(10)14/h5-7,15H,4,8-9H2,1-3H3
InChIKeyKNWOTEVEJCWZHE-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,3-dihydroxyphenyl)methylamino]-N-ethyl-N-methylacetamide
CID 114132352
2-[(2-chlorophenyl)methylamino]-N-ethyl-N-methylacetamide
CID 43309591
N-[(2-fluoro-3-methoxyphenyl)methyl]-N',N'-dimethylbutane-1,4-diamine
CID 113453546
3-[(2-fluoro-3-methoxyphenyl)methylamino]-N-methylpropanamide
CID 104791725
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-(propylamino)acetamide
CID 60648390
1-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 113453542
5-[(2-fluoro-3-methoxyphenyl)methylamino]pentanamide
CID 114162271
N-ethyl-2-[(3-hydroxy-4-methoxyphenyl)methylamino]-N-methylacetamide
CID 104923410
1-[(2-fluoro-3-methoxyphenyl)methylamino]-2-methylpropan-2-ol
CID 104791866
N-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]-N-methylacetamide
CID 104923539
N-ethyl-2-(1H-indol-4-ylmethylamino)-N-methylacetamide
CID 104923370
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-N-ethyl-N-methylacetamide
CID 104923342

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methylamino]-N-methylacetamide?
The IUPAC name of N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methylamino]-N-methylacetamide (CID 114132777) is N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methylamino]-N-methylacetamide.
What is the SMILES notation for N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methylamino]-N-methylacetamide?
The canonical SMILES for N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methylamino]-N-methylacetamide is CCN(C)C(=O)CNCc1cccc(OC)c1F.
What is the InChIKey of N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methylamino]-N-methylacetamide?
The InChIKey is KNWOTEVEJCWZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-4-16(2)12(17)9-15-8-10-6-5-7-11(18-3)13(10)14/h5-7,15H,4,8-9H2,1-3H3.
What are the key properties of N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methylamino]-N-methylacetamide?
N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methylamino]-N-methylacetamide has a molecular weight of 254.30 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methylamino]-N-methylacetamide is sourced from PubChem (CID 114132777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).