N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide

C13H19FN2O2 — CID 119744896

IUPACN-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCc1ccc(CO)c(F)c1
InChIInChI=1S/C13H19FN2O2/c1-9(6-15-2)13(18)16-7-10-3-4-11(8-17)12(14)5-10/h3-5,9,15,17H,6-8H2,1-2H3,(H,16,18)
InChIKeyMUMJQXQJZDZEOK-UHFFFAOYSA-N
MW254.30 g/mol
LogP0.79
Rot. Bonds6

About N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide

N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 119744896) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide
PubChem CID119744896
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC NameN-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCc1ccc(CO)c(F)c1
InChIInChI=1S/C13H19FN2O2/c1-9(6-15-2)13(18)16-7-10-3-4-11(8-17)12(14)5-10/h3-5,9,15,17H,6-8H2,1-2H3,(H,16,18)
InChIKeyMUMJQXQJZDZEOK-UHFFFAOYSA-N
XLogP0.79
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]propanamide
CID 22769472
N-(4-Hydroxymethylbenzyl)trifluoroacetamide
CID 15852209
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-methylbutanamide
CID 72002743
tert-butyl N-{[3-fluoro-4-(hydroxymethyl)phenyl]methyl}carbamate
CID 68220004
tert-butyl N-{[2-fluoro-4-(hydroxymethyl)phenyl]methyl}carbamate
CID 68220064
Tert-butyl (2,6-difluoro-4-(hydroxymethyl)benzyl)carbamate
CID 178253259
N-[hydroxy(phenyl)methyl]acetamide
CID 18363668
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)pivalamide
CID 56765422
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide
CID 71982886
3-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-methylpropanamide
CID 71988623
2,2,2-trifluoro-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]acetamide
CID 10220844
N-[1-(2-fluorophenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 20635101

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide (CID 119744896) is N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)NCc1ccc(CO)c(F)c1.
What is the InChIKey of N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is MUMJQXQJZDZEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-9(6-15-2)13(18)16-7-10-3-4-11(8-17)12(14)5-10/h3-5,9,15,17H,6-8H2,1-2H3,(H,16,18).
What are the key properties of N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide?
N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 254.30 g/mol, XLogP of 0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 119744896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).