2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-methylpropanamide

C12H17FN2O2 — CID 119301142

IUPAC2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)NCc1ccc(CO)c(F)c1
InChIInChI=1S/C12H17FN2O2/c1-12(2,14)11(17)15-6-8-3-4-9(7-16)10(13)5-8/h3-5,16H,6-7,14H2,1-2H3,(H,15,17)
InChIKeyQONJFBWIKNEBAD-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.67
Rot. Bonds4

About 2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-methylpropanamide

2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-methylpropanamide (PubChem CID 119301142) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-methylpropanamide
PubChem CID119301142
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)NCc1ccc(CO)c(F)c1
InChIInChI=1S/C12H17FN2O2/c1-12(2,14)11(17)15-6-8-3-4-9(7-16)10(13)5-8/h3-5,16H,6-7,14H2,1-2H3,(H,15,17)
InChIKeyQONJFBWIKNEBAD-UHFFFAOYSA-N
XLogP0.67
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]propanamide
CID 22769471
N-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]propanamide
CID 22769472
N-[2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropyl]-2-methylpropanamide
CID 22769489
N-(4-Hydroxymethylbenzyl)trifluoroacetamide
CID 15852209
N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}-N'-(1-phenylethyl)ethanediamide
CID 56765501
tert-butyl N-{[3-fluoro-4-(hydroxymethyl)phenyl]methyl}carbamate
CID 68220004
tert-butyl N-{[2-fluoro-4-(hydroxymethyl)phenyl]methyl}carbamate
CID 68220064
N-[hydroxy(phenyl)methyl]acetamide
CID 18363668
N1-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-N2-methyloxalamide
CID 56765496
N1-(4-fluorobenzyl)-N2-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)oxalamide
CID 56765502
N-[[4-(ethoxymethyl)phenyl]methyl]-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide
CID 56795451
N1-(4-fluorobenzyl)-N2-(3-hydroxy-3-phenylpropyl)oxalamide
CID 71782302

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-methylpropanamide (CID 119301142) is 2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-methylpropanamide is CC(C)(N)C(=O)NCc1ccc(CO)c(F)c1.
What is the InChIKey of 2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-methylpropanamide?
The InChIKey is QONJFBWIKNEBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-12(2,14)11(17)15-6-8-3-4-9(7-16)10(13)5-8/h3-5,16H,6-7,14H2,1-2H3,(H,15,17).
What are the key properties of 2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-methylpropanamide?
2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-methylpropanamide has a molecular weight of 240.28 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-methylpropanamide is sourced from PubChem (CID 119301142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).