2-[4-fluoro-2-(propylaminomethyl)phenoxy]butanamide

C14H21FN2O2 — CID 107695830

IUPAC2-[4-fluoro-2-(propylaminomethyl)phenoxy]butanamide
SMILESCCCNCc1cc(F)ccc1OC(CC)C(N)=O
InChIInChI=1S/C14H21FN2O2/c1-3-7-17-9-10-8-11(15)5-6-13(10)19-12(4-2)14(16)18/h5-6,8,12,17H,3-4,7,9H2,1-2H3,(H2,16,18)
InChIKeyRATOGAHHWPPCIJ-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.97
Rot. Bonds8

About 2-[4-fluoro-2-(propylaminomethyl)phenoxy]butanamide

2-[4-fluoro-2-(propylaminomethyl)phenoxy]butanamide (PubChem CID 107695830) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-[4-fluoro-2-(propylaminomethyl)phenoxy]butanamide.

Molecular Properties

Compound Name2-[4-fluoro-2-(propylaminomethyl)phenoxy]butanamide
PubChem CID107695830
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name2-[4-fluoro-2-(propylaminomethyl)phenoxy]butanamide
SMILESCCCNCc1cc(F)ccc1OC(CC)C(N)=O
InChIInChI=1S/C14H21FN2O2/c1-3-7-17-9-10-8-11(15)5-6-13(10)19-12(4-2)14(16)18/h5-6,8,12,17H,3-4,7,9H2,1-2H3,(H2,16,18)
InChIKeyRATOGAHHWPPCIJ-UHFFFAOYSA-N
XLogP1.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.97
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-(ethylaminomethyl)-4-fluorophenoxy]butanamide
CID 107695506
N-[[2-(difluoromethoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 107695779
2-[2-methoxy-4-(propylaminomethyl)phenoxy]butanamide
CID 62899820
3-[4-fluoro-2-(propylaminomethyl)phenoxy]propanamide
CID 107695803
2-[5-methoxy-2-(propylaminomethyl)phenoxy]butanamide
CID 62901536
2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]butanamide
CID 63057352
2-(1-amino-1-oxobutan-2-yl)oxy-5-fluorobenzoic acid
CID 115297987
2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide
CID 107695888
2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 107695944
2-[4-methoxy-2-(propylaminomethyl)phenoxy]propanamide
CID 43276391
N-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 43314361
ethyl 2-[2-(2-aminoethyl)-4-fluorophenoxy]butanoate
CID 107700382

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-(propylaminomethyl)phenoxy]butanamide?
The IUPAC name of 2-[4-fluoro-2-(propylaminomethyl)phenoxy]butanamide (CID 107695830) is 2-[4-fluoro-2-(propylaminomethyl)phenoxy]butanamide.
What is the SMILES notation for 2-[4-fluoro-2-(propylaminomethyl)phenoxy]butanamide?
The canonical SMILES for 2-[4-fluoro-2-(propylaminomethyl)phenoxy]butanamide is CCCNCc1cc(F)ccc1OC(CC)C(N)=O.
What is the InChIKey of 2-[4-fluoro-2-(propylaminomethyl)phenoxy]butanamide?
The InChIKey is RATOGAHHWPPCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-3-7-17-9-10-8-11(15)5-6-13(10)19-12(4-2)14(16)18/h5-6,8,12,17H,3-4,7,9H2,1-2H3,(H2,16,18).
What are the key properties of 2-[4-fluoro-2-(propylaminomethyl)phenoxy]butanamide?
2-[4-fluoro-2-(propylaminomethyl)phenoxy]butanamide has a molecular weight of 268.33 g/mol, XLogP of 1.97, 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]butanamide is sourced from PubChem (CID 107695830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).