2-(2-amino-4-fluoro-5-propoxyanilino)-N-ethyl-N-methylpropanamide

C15H24FN3O2 — CID 103106731

IUPAC2-(2-amino-4-fluoro-5-propoxyanilino)-N-ethyl-N-methylpropanamide
SMILESCCCOc1cc(NC(C)C(=O)N(C)CC)c(N)cc1F
InChIInChI=1S/C15H24FN3O2/c1-5-7-21-14-9-13(12(17)8-11(14)16)18-10(3)15(20)19(4)6-2/h8-10,18H,5-7,17H2,1-4H3
InChIKeyNYWOROYDSVYPPJ-UHFFFAOYSA-N
MW297.37 g/mol
LogP2.48
Rot. Bonds7

About 2-(2-amino-4-fluoro-5-propoxyanilino)-N-ethyl-N-methylpropanamide

2-(2-amino-4-fluoro-5-propoxyanilino)-N-ethyl-N-methylpropanamide (PubChem CID 103106731) has the molecular formula C15H24FN3O2 and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-(2-amino-4-fluoro-5-propoxyanilino)-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-(2-amino-4-fluoro-5-propoxyanilino)-N-ethyl-N-methylpropanamide
PubChem CID103106731
Molecular FormulaC15H24FN3O2
Molecular Weight297.37 g/mol
Exact Mass297.19
IUPAC Name2-(2-amino-4-fluoro-5-propoxyanilino)-N-ethyl-N-methylpropanamide
SMILESCCCOc1cc(NC(C)C(=O)N(C)CC)c(N)cc1F
InChIInChI=1S/C15H24FN3O2/c1-5-7-21-14-9-13(12(17)8-11(14)16)18-10(3)15(20)19(4)6-2/h8-10,18H,5-7,17H2,1-4H3
InChIKeyNYWOROYDSVYPPJ-UHFFFAOYSA-N
XLogP2.48
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-5-bromo-4-fluoroanilino)-N-ethyl-N-methylpropanamide
CID 103106654
1-N-[1-(diethylamino)propan-2-yl]-4-fluoro-5-propoxybenzene-1,2-diamine
CID 63592624
2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N,N-dimethylpropanamide
CID 63594207
4-fluoro-1-N-hexan-3-yl-5-propoxybenzene-1,2-diamine
CID 63592455
3-(2-amino-4-fluoro-5-propoxyanilino)-2-hydroxypropanamide
CID 106166701
3-(2-amino-4-fluoro-5-propoxyanilino)-N-methylpropanamide
CID 63591924
4-fluoro-1-N-[1-(5-methylfuran-2-yl)ethyl]-5-propoxybenzene-1,2-diamine
CID 63593378
2-(2-amino-4-cyanoanilino)-N-ethyl-N-methylpropanamide
CID 103106779
2-(4-amino-3-propoxyanilino)-N,N-dimethylpropanamide
CID 63672206
2-(2-amino-4-fluoro-N-methyl-5-propoxyanilino)acetamide
CID 63592936
2-(2-amino-4-fluoro-5-propoxyanilino)-2-ethylpropane-1,3-diol
CID 107864615
2-(2-amino-4-nitroanilino)-N-ethyl-N-methylpropanamide
CID 103106754

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-fluoro-5-propoxyanilino)-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-(2-amino-4-fluoro-5-propoxyanilino)-N-ethyl-N-methylpropanamide (CID 103106731) is 2-(2-amino-4-fluoro-5-propoxyanilino)-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-(2-amino-4-fluoro-5-propoxyanilino)-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-(2-amino-4-fluoro-5-propoxyanilino)-N-ethyl-N-methylpropanamide is CCCOc1cc(NC(C)C(=O)N(C)CC)c(N)cc1F.
What is the InChIKey of 2-(2-amino-4-fluoro-5-propoxyanilino)-N-ethyl-N-methylpropanamide?
The InChIKey is NYWOROYDSVYPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O2/c1-5-7-21-14-9-13(12(17)8-11(14)16)18-10(3)15(20)19(4)6-2/h8-10,18H,5-7,17H2,1-4H3.
What are the key properties of 2-(2-amino-4-fluoro-5-propoxyanilino)-N-ethyl-N-methylpropanamide?
2-(2-amino-4-fluoro-5-propoxyanilino)-N-ethyl-N-methylpropanamide has a molecular weight of 297.37 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-fluoro-5-propoxyanilino)-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103106731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).