N-ethyl-2-[(5-fluoro-2-hydroxyphenyl)methylamino]-N-methylpropanamide

C13H19FN2O2 — CID 103275902

IUPACN-ethyl-2-[(5-fluoro-2-hydroxyphenyl)methylamino]-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NCc1cc(F)ccc1O
InChIInChI=1S/C13H19FN2O2/c1-4-16(3)13(18)9(2)15-8-10-7-11(14)5-6-12(10)17/h5-7,9,15,17H,4,8H2,1-3H3
InChIKeyMDABJXNPXKNPQK-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.49
Rot. Bonds5

About N-ethyl-2-[(5-fluoro-2-hydroxyphenyl)methylamino]-N-methylpropanamide

N-ethyl-2-[(5-fluoro-2-hydroxyphenyl)methylamino]-N-methylpropanamide (PubChem CID 103275902) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is N-ethyl-2-[(5-fluoro-2-hydroxyphenyl)methylamino]-N-methylpropanamide.

Molecular Properties

Compound NameN-ethyl-2-[(5-fluoro-2-hydroxyphenyl)methylamino]-N-methylpropanamide
PubChem CID103275902
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC NameN-ethyl-2-[(5-fluoro-2-hydroxyphenyl)methylamino]-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NCc1cc(F)ccc1O
InChIInChI=1S/C13H19FN2O2/c1-4-16(3)13(18)9(2)15-8-10-7-11(14)5-6-12(10)17/h5-7,9,15,17H,4,8H2,1-3H3
InChIKeyMDABJXNPXKNPQK-UHFFFAOYSA-N
XLogP1.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide
CID 103108692
N-ethyl-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N-methylpropanamide
CID 103107033
N-ethyl-N-methyl-2-[(2,3,4-trihydroxyphenyl)methylamino]propanamide
CID 107731050
N-ethyl-2-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylpropanamide
CID 103108687
4-fluoro-2-[[(4-hydroxy-3-methylbutan-2-yl)amino]methyl]phenol
CID 103948850
4-fluoro-2-[(1-methylsulfinylpropan-2-ylamino)methyl]phenol
CID 104530821
2-[(3-cyano-5-fluorophenyl)methylamino]-N-ethyl-N-methylpropanamide
CID 103108873
2-[(4-bromophenyl)methylamino]-N-ethyl-N-methylpropanamide
CID 103107208
2-[(3-bromo-2,6-difluorophenyl)methylamino]-N-ethyl-N-methylpropanamide
CID 106263803
4-fluoro-2-[[1-(3-fluorophenyl)ethylamino]methyl]phenol
CID 103947979
4-fluoro-2-[(pent-1-yn-3-ylamino)methyl]phenol
CID 106225386
N-ethyl-N-methyl-2-[(2-oxo-1H-quinolin-3-yl)methylamino]propanamide
CID 103107561

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(5-fluoro-2-hydroxyphenyl)methylamino]-N-methylpropanamide?
The IUPAC name of N-ethyl-2-[(5-fluoro-2-hydroxyphenyl)methylamino]-N-methylpropanamide (CID 103275902) is N-ethyl-2-[(5-fluoro-2-hydroxyphenyl)methylamino]-N-methylpropanamide.
What is the SMILES notation for N-ethyl-2-[(5-fluoro-2-hydroxyphenyl)methylamino]-N-methylpropanamide?
The canonical SMILES for N-ethyl-2-[(5-fluoro-2-hydroxyphenyl)methylamino]-N-methylpropanamide is CCN(C)C(=O)C(C)NCc1cc(F)ccc1O.
What is the InChIKey of N-ethyl-2-[(5-fluoro-2-hydroxyphenyl)methylamino]-N-methylpropanamide?
The InChIKey is MDABJXNPXKNPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-4-16(3)13(18)9(2)15-8-10-7-11(14)5-6-12(10)17/h5-7,9,15,17H,4,8H2,1-3H3.
What are the key properties of N-ethyl-2-[(5-fluoro-2-hydroxyphenyl)methylamino]-N-methylpropanamide?
N-ethyl-2-[(5-fluoro-2-hydroxyphenyl)methylamino]-N-methylpropanamide has a molecular weight of 254.30 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(5-fluoro-2-hydroxyphenyl)methylamino]-N-methylpropanamide is sourced from PubChem (CID 103275902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).