2-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]butanamide

C14H21FN2O3 — CID 107689312

IUPAC2-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]butanamide
SMILESCCC(Oc1ccc(CNCCOC)cc1F)C(N)=O
InChIInChI=1S/C14H21FN2O3/c1-3-12(14(16)18)20-13-5-4-10(8-11(13)15)9-17-6-7-19-2/h4-5,8,12,17H,3,6-7,9H2,1-2H3,(H2,16,18)
InChIKeyLBTXTRKSGKJCHC-UHFFFAOYSA-N
MW284.33 g/mol
LogP1.20
Rot. Bonds9

About 2-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]butanamide

2-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]butanamide (PubChem CID 107689312) has the molecular formula C14H21FN2O3 and a molecular weight of 284.33 g/mol. Its IUPAC name is 2-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]butanamide.

Molecular Properties

Compound Name2-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]butanamide
PubChem CID107689312
Molecular FormulaC14H21FN2O3
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name2-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]butanamide
SMILESCCC(Oc1ccc(CNCCOC)cc1F)C(N)=O
InChIInChI=1S/C14H21FN2O3/c1-3-12(14(16)18)20-13-5-4-10(8-11(13)15)9-17-6-7-19-2/h4-5,8,12,17H,3,6-7,9H2,1-2H3,(H2,16,18)
InChIKeyLBTXTRKSGKJCHC-UHFFFAOYSA-N
XLogP1.20
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-methoxy-4-(propylaminomethyl)phenoxy]butanamide
CID 62899820
2-[2-chloro-4-(ethylaminomethyl)phenoxy]butanamide
CID 55132192
2-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63055739
3-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide
CID 107689352
1-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylpropan-2-ol
CID 107689136
2-[4-fluoro-2-(propylaminomethyl)phenoxy]butanamide
CID 107695830
2-[4-(ethylaminomethyl)-2-nitrophenoxy]butanamide
CID 62901529
2-[2-bromo-4-[(2-methylpropylamino)methyl]phenoxy]butanamide
CID 63063899
N-[(3-fluoro-4-propan-2-ylsulfanylphenyl)methyl]-2-methoxyethanamine
CID 63807890
2-[2-(ethylaminomethyl)-4-fluorophenoxy]butanamide
CID 107695506
1-[(3-fluoro-4-methoxyphenyl)methylamino]pentan-3-ol
CID 115703077
3-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenyl]sulfanylbutan-2-ol
CID 107772252

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]butanamide?
The IUPAC name of 2-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]butanamide (CID 107689312) is 2-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]butanamide.
What is the SMILES notation for 2-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]butanamide?
The canonical SMILES for 2-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]butanamide is CCC(Oc1ccc(CNCCOC)cc1F)C(N)=O.
What is the InChIKey of 2-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]butanamide?
The InChIKey is LBTXTRKSGKJCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3/c1-3-12(14(16)18)20-13-5-4-10(8-11(13)15)9-17-6-7-19-2/h4-5,8,12,17H,3,6-7,9H2,1-2H3,(H2,16,18).
What are the key properties of 2-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]butanamide?
2-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]butanamide has a molecular weight of 284.33 g/mol, XLogP of 1.20, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]butanamide is sourced from PubChem (CID 107689312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).