3-[(5-fluoro-2-methylphenyl)methylamino]-2-hydroxypropanamide

C11H15FN2O2 — CID 106171518

IUPAC3-[(5-fluoro-2-methylphenyl)methylamino]-2-hydroxypropanamide
SMILESCc1ccc(F)cc1CNCC(O)C(N)=O
InChIInChI=1S/C11H15FN2O2/c1-7-2-3-9(12)4-8(7)5-14-6-10(15)11(13)16/h2-4,10,14-15H,5-6H2,1H3,(H2,13,16)
InChIKeyODJCALUQYONBJW-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.07
Rot. Bonds5

About 3-[(5-fluoro-2-methylphenyl)methylamino]-2-hydroxypropanamide

3-[(5-fluoro-2-methylphenyl)methylamino]-2-hydroxypropanamide (PubChem CID 106171518) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 3-[(5-fluoro-2-methylphenyl)methylamino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(5-fluoro-2-methylphenyl)methylamino]-2-hydroxypropanamide
PubChem CID106171518
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name3-[(5-fluoro-2-methylphenyl)methylamino]-2-hydroxypropanamide
SMILESCc1ccc(F)cc1CNCC(O)C(N)=O
InChIInChI=1S/C11H15FN2O2/c1-7-2-3-9(12)4-8(7)5-14-6-10(15)11(13)16/h2-4,10,14-15H,5-6H2,1H3,(H2,13,16)
InChIKeyODJCALUQYONBJW-UHFFFAOYSA-N
XLogP0.07
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129
N-(3-amino-2-hydroxy-3-oxopropyl)-5-fluoro-2-methylbenzamide
CID 107261331
2-hydroxy-3-[(4-methyl-3-pyridinyl)methylamino]propanamide
CID 106171675
3-[(4-chloro-2-methylphenyl)methylamino]-2-hydroxypropanamide
CID 106172166
3-[(4-chloro-2-fluorophenyl)methylamino]-2-hydroxypropanamide
CID 106171926
3-[(5-bromo-2-fluorophenyl)methylamino]-2-hydroxypropanamide
CID 106170380
2-bromo-3-(5-fluoro-2-methylphenyl)propanamide
CID 104512974
2-hydroxy-3-[(2-hydroxy-4-methoxyphenyl)methylamino]propanamide
CID 106171414
2-[[(5-fluoro-2-methylphenyl)methylamino]methyl]phenol
CID 115968066
2,2-difluoro-3-[(5-fluoro-2-methylphenyl)methylamino]propan-1-ol
CID 104857334
2-[(5-fluoro-2-methylphenyl)methylamino]-1-thiophen-3-ylethanol
CID 103943964
3-amino-N-[(5-fluoro-2-methylphenyl)methyl]-2-oxopropanamide
CID 158545283

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-2-methylphenyl)methylamino]-2-hydroxypropanamide?
The IUPAC name of 3-[(5-fluoro-2-methylphenyl)methylamino]-2-hydroxypropanamide (CID 106171518) is 3-[(5-fluoro-2-methylphenyl)methylamino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(5-fluoro-2-methylphenyl)methylamino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(5-fluoro-2-methylphenyl)methylamino]-2-hydroxypropanamide is Cc1ccc(F)cc1CNCC(O)C(N)=O.
What is the InChIKey of 3-[(5-fluoro-2-methylphenyl)methylamino]-2-hydroxypropanamide?
The InChIKey is ODJCALUQYONBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-7-2-3-9(12)4-8(7)5-14-6-10(15)11(13)16/h2-4,10,14-15H,5-6H2,1H3,(H2,13,16).
What are the key properties of 3-[(5-fluoro-2-methylphenyl)methylamino]-2-hydroxypropanamide?
3-[(5-fluoro-2-methylphenyl)methylamino]-2-hydroxypropanamide has a molecular weight of 226.25 g/mol, XLogP of 0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-2-methylphenyl)methylamino]-2-hydroxypropanamide is sourced from PubChem (CID 106171518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).