2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide

C15H23FN2O2 — CID 107695944

IUPAC2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
SMILESCCCNCc1cc(F)ccc1OCC(=O)NC(C)C
InChIInChI=1S/C15H23FN2O2/c1-4-7-17-9-12-8-13(16)5-6-14(12)20-10-15(19)18-11(2)3/h5-6,8,11,17H,4,7,9-10H2,1-3H3,(H,18,19)
InChIKeyGKHDQTWTGLHASW-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.23
Rot. Bonds8

About 2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide

2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide (PubChem CID 107695944) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
PubChem CID107695944
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
SMILESCCCNCc1cc(F)ccc1OCC(=O)NC(C)C
InChIInChI=1S/C15H23FN2O2/c1-4-7-17-9-12-8-13(16)5-6-14(12)20-10-15(19)18-11(2)3/h5-6,8,11,17H,4,7,9-10H2,1-3H3,(H,18,19)
InChIKeyGKHDQTWTGLHASW-UHFFFAOYSA-N
XLogP2.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 107687356
2-[2-(ethylaminomethyl)-4-fluorophenoxy]-N-pentan-3-ylacetamide
CID 107695704
2-[4-fluoro-2-(propylaminomethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 107695945
2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 43278803
N-ethyl-2-[2-(ethylaminomethyl)-4-fluorophenoxy]acetamide
CID 107695692
3-[4-fluoro-2-(propylaminomethyl)phenoxy]propanamide
CID 107695803
N-[[5-fluoro-2-(2-methylpentoxy)phenyl]methyl]propan-1-amine
CID 107695953
2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-propan-2-ylacetamide
CID 63056502
N-[[5-fluoro-2-(methoxymethoxy)phenyl]methyl]propan-1-amine
CID 107695941
2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-propylacetamide
CID 43276397
N-[[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 107695842
N-[[5-fluoro-2-(3-fluoropropoxy)phenyl]methyl]propan-1-amine
CID 107695992

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide (CID 107695944) is 2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide is CCCNCc1cc(F)ccc1OCC(=O)NC(C)C.
What is the InChIKey of 2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide?
The InChIKey is GKHDQTWTGLHASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-4-7-17-9-12-8-13(16)5-6-14(12)20-10-15(19)18-11(2)3/h5-6,8,11,17H,4,7,9-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide?
2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide has a molecular weight of 282.36 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 107695944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).