2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]butanamide

C15H23FN2O2 — CID 115955247

IUPAC2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]butanamide
SMILESCCC(Oc1c(F)cccc1CNC(C)(C)C)C(N)=O
InChIInChI=1S/C15H23FN2O2/c1-5-12(14(17)19)20-13-10(7-6-8-11(13)16)9-18-15(2,3)4/h6-8,12,18H,5,9H2,1-4H3,(H2,17,19)
InChIKeyYCMDMTGXVFQHAS-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.36
Rot. Bonds6

About 2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]butanamide

2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]butanamide (PubChem CID 115955247) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]butanamide.

Molecular Properties

Compound Name2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]butanamide
PubChem CID115955247
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]butanamide
SMILESCCC(Oc1c(F)cccc1CNC(C)(C)C)C(N)=O
InChIInChI=1S/C15H23FN2O2/c1-5-12(14(17)19)20-13-10(7-6-8-11(13)16)9-18-15(2,3)4/h6-8,12,18H,5,9H2,1-4H3,(H2,17,19)
InChIKeyYCMDMTGXVFQHAS-UHFFFAOYSA-N
XLogP2.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]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-fluoro-6-(hydroxymethyl)phenoxy]butanamide
CID 112613193
2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]butanamide
CID 63056882
2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]butanamide
CID 63057973
methyl 2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]acetate
CID 112610729
1-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]propan-2-ol
CID 112610710
N-[(5-fluoronaphthalen-1-yl)methyl]-2-methylpropan-2-amine
CID 164935784
N-[[3-fluoro-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 112610713
(E)-3-[2-(1-amino-1-oxobutan-2-yl)oxy-3-fluorophenyl]prop-2-enoic acid
CID 112614291
4-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]-N-methylbutanamide
CID 115955151
N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115955221
3-[2-(ethylaminomethyl)-6-fluorophenoxy]-2-methylpropanamide
CID 112609547
N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 112610717

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]butanamide?
The IUPAC name of 2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]butanamide (CID 115955247) is 2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]butanamide.
What is the SMILES notation for 2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]butanamide?
The canonical SMILES for 2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]butanamide is CCC(Oc1c(F)cccc1CNC(C)(C)C)C(N)=O.
What is the InChIKey of 2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]butanamide?
The InChIKey is YCMDMTGXVFQHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-5-12(14(17)19)20-13-10(7-6-8-11(13)16)9-18-15(2,3)4/h6-8,12,18H,5,9H2,1-4H3,(H2,17,19).
What are the key properties of 2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]butanamide?
2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]butanamide has a molecular weight of 282.36 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]butanamide is sourced from PubChem (CID 115955247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).