3-amino-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methoxypropanamide

C13H19FN2O2 — CID 106113187

IUPAC3-amino-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methoxypropanamide
SMILESCOC(CN)C(=O)NC(C)c1ccc(C)c(F)c1
InChIInChI=1S/C13H19FN2O2/c1-8-4-5-10(6-11(8)14)9(2)16-13(17)12(7-15)18-3/h4-6,9,12H,7,15H2,1-3H3,(H,16,17)
InChIKeyCCHCRDQWRMJCHB-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.29
Rot. Bonds5

About 3-amino-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methoxypropanamide

3-amino-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methoxypropanamide (PubChem CID 106113187) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 3-amino-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methoxypropanamide.

Molecular Properties

Compound Name3-amino-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methoxypropanamide
PubChem CID106113187
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name3-amino-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methoxypropanamide
SMILESCOC(CN)C(=O)NC(C)c1ccc(C)c(F)c1
InChIInChI=1S/C13H19FN2O2/c1-8-4-5-10(6-11(8)14)9(2)16-13(17)12(7-15)18-3/h4-6,9,12H,7,15H2,1-3H3,(H,16,17)
InChIKeyCCHCRDQWRMJCHB-UHFFFAOYSA-N
XLogP1.29
TPSA64.35 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 ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methoxy-N-[1-(4-methylphenyl)ethyl]propanamide
CID 106111839
3-amino-2-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]propanamide
CID 106113248
(2S)-3-amino-N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-phenylpropanamide
CID 124689942
2-(aminomethyl)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-4,4-dimethylpentanamide
CID 107472449
(2R)-3-amino-N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-phenylpropanamide
CID 124695556
3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxypropanamide
CID 114145152
3-amino-2-methoxy-N-(1-phenylethyl)propanamide
CID 106110983
3-amino-N-[1-(2,5-dimethylphenyl)ethyl]-2-methoxypropanamide
CID 106111769
3-amino-2-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 106112545
N-[1-(3-fluoro-4-methylphenyl)ethyl]-3-sulfanylpropanamide
CID 107032695
3-amino-2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 106111523
N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 97053597

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methoxypropanamide?
The IUPAC name of 3-amino-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methoxypropanamide (CID 106113187) is 3-amino-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methoxypropanamide.
What is the SMILES notation for 3-amino-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methoxypropanamide?
The canonical SMILES for 3-amino-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methoxypropanamide is COC(CN)C(=O)NC(C)c1ccc(C)c(F)c1.
What is the InChIKey of 3-amino-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methoxypropanamide?
The InChIKey is CCHCRDQWRMJCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-8-4-5-10(6-11(8)14)9(2)16-13(17)12(7-15)18-3/h4-6,9,12H,7,15H2,1-3H3,(H,16,17).
What are the key properties of 3-amino-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methoxypropanamide?
3-amino-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methoxypropanamide has a molecular weight of 254.30 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methoxypropanamide is sourced from PubChem (CID 106113187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).