2-[4-(aminomethyl)-2-fluorophenoxy]-N-(2-methylbutan-2-yl)propanamide

C15H23FN2O2 — CID 107665393

IUPAC2-[4-(aminomethyl)-2-fluorophenoxy]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Oc1ccc(CN)cc1F
InChIInChI=1S/C15H23FN2O2/c1-5-15(3,4)18-14(19)10(2)20-13-7-6-11(9-17)8-12(13)16/h6-8,10H,5,9,17H2,1-4H3,(H,18,19)
InChIKeyHKUJNPUTWJCZIE-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.36
Rot. Bonds6

About 2-[4-(aminomethyl)-2-fluorophenoxy]-N-(2-methylbutan-2-yl)propanamide

2-[4-(aminomethyl)-2-fluorophenoxy]-N-(2-methylbutan-2-yl)propanamide (PubChem CID 107665393) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-fluorophenoxy]-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-fluorophenoxy]-N-(2-methylbutan-2-yl)propanamide
PubChem CID107665393
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name2-[4-(aminomethyl)-2-fluorophenoxy]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Oc1ccc(CN)cc1F
InChIInChI=1S/C15H23FN2O2/c1-5-15(3,4)18-14(19)10(2)20-13-7-6-11(9-17)8-12(13)16/h6-8,10H,5,9,17H2,1-4H3,(H,18,19)
InChIKeyHKUJNPUTWJCZIE-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

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Related Compounds

2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-tert-butylpropanamide
CID 107692686
2-[4-(aminomethyl)-2-fluorophenoxy]-N-cyclopentylpropanamide
CID 107665579
2-[4-(aminomethyl)-2-fluorophenoxy]propanamide
CID 107665477
2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 63366211
2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 63325105
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 62369855
2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 107692828
3-bromo-4-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 63052137
N-tert-butyl-2-(4-chloro-2-fluorophenoxy)propanamide
CID 113219152
2-(2-amino-4,5-dichlorophenoxy)-N-(2-methylbutan-2-yl)propanamide
CID 107497904
2-(2-formyl-4-methylphenoxy)-N-(2-methylbutan-2-yl)propanamide
CID 63325789
N-(1-amino-2-methylpropan-2-yl)-2-(2-bromo-4-fluorophenoxy)propanamide
CID 119522994

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-fluorophenoxy]-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-[4-(aminomethyl)-2-fluorophenoxy]-N-(2-methylbutan-2-yl)propanamide (CID 107665393) is 2-[4-(aminomethyl)-2-fluorophenoxy]-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-[4-(aminomethyl)-2-fluorophenoxy]-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-[4-(aminomethyl)-2-fluorophenoxy]-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)Oc1ccc(CN)cc1F.
What is the InChIKey of 2-[4-(aminomethyl)-2-fluorophenoxy]-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is HKUJNPUTWJCZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-5-15(3,4)18-14(19)10(2)20-13-7-6-11(9-17)8-12(13)16/h6-8,10H,5,9,17H2,1-4H3,(H,18,19).
What are the key properties of 2-[4-(aminomethyl)-2-fluorophenoxy]-N-(2-methylbutan-2-yl)propanamide?
2-[4-(aminomethyl)-2-fluorophenoxy]-N-(2-methylbutan-2-yl)propanamide 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-[4-(aminomethyl)-2-fluorophenoxy]-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 107665393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).