2-[4-(ethylaminomethyl)-2-fluorophenoxy]-N-(2-methylpropyl)acetamide

C15H23FN2O2 — CID 107687125

IUPAC2-[4-(ethylaminomethyl)-2-fluorophenoxy]-N-(2-methylpropyl)acetamide
SMILESCCNCc1ccc(OCC(=O)NCC(C)C)c(F)c1
InChIInChI=1S/C15H23FN2O2/c1-4-17-9-12-5-6-14(13(16)7-12)20-10-15(19)18-8-11(2)3/h5-7,11,17H,4,8-10H2,1-3H3,(H,18,19)
InChIKeyFFQOWTMXGMOUJJ-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.09
Rot. Bonds8

About 2-[4-(ethylaminomethyl)-2-fluorophenoxy]-N-(2-methylpropyl)acetamide

2-[4-(ethylaminomethyl)-2-fluorophenoxy]-N-(2-methylpropyl)acetamide (PubChem CID 107687125) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[4-(ethylaminomethyl)-2-fluorophenoxy]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-(ethylaminomethyl)-2-fluorophenoxy]-N-(2-methylpropyl)acetamide
PubChem CID107687125
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name2-[4-(ethylaminomethyl)-2-fluorophenoxy]-N-(2-methylpropyl)acetamide
SMILESCCNCc1ccc(OCC(=O)NCC(C)C)c(F)c1
InChIInChI=1S/C15H23FN2O2/c1-4-17-9-12-5-6-14(13(16)7-12)20-10-15(19)18-8-11(2)3/h5-7,11,17H,4,8-10H2,1-3H3,(H,18,19)
InChIKeyFFQOWTMXGMOUJJ-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]-N-(2-methylpropyl)acetamide
CID 107687871
N-carbamoyl-2-[4-(ethylaminomethyl)-2-fluorophenoxy]acetamide
CID 107687126
2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]-N-propylacetamide
CID 107687590
2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 107687356
N-(cyanomethyl)-2-[2-fluoro-4-(propylaminomethyl)phenoxy]acetamide
CID 107687312
2-[2-methoxy-5-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 43278737
2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 107686749
N-[[4-(2-ethoxyethoxy)-3-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107688883
3-[2-fluoro-4-[(2-methylpropylamino)methyl]phenoxy]propanamide
CID 107688867
2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-N-(2-methylpropyl)acetamide
CID 79151664
2-[2-bromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-propylacetamide
CID 63063547
N-[[3-fluoro-4-(2-fluoroethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107689008

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylaminomethyl)-2-fluorophenoxy]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[4-(ethylaminomethyl)-2-fluorophenoxy]-N-(2-methylpropyl)acetamide (CID 107687125) is 2-[4-(ethylaminomethyl)-2-fluorophenoxy]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[4-(ethylaminomethyl)-2-fluorophenoxy]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[4-(ethylaminomethyl)-2-fluorophenoxy]-N-(2-methylpropyl)acetamide is CCNCc1ccc(OCC(=O)NCC(C)C)c(F)c1.
What is the InChIKey of 2-[4-(ethylaminomethyl)-2-fluorophenoxy]-N-(2-methylpropyl)acetamide?
The InChIKey is FFQOWTMXGMOUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-4-17-9-12-5-6-14(13(16)7-12)20-10-15(19)18-8-11(2)3/h5-7,11,17H,4,8-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-(ethylaminomethyl)-2-fluorophenoxy]-N-(2-methylpropyl)acetamide?
2-[4-(ethylaminomethyl)-2-fluorophenoxy]-N-(2-methylpropyl)acetamide has a molecular weight of 282.36 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylaminomethyl)-2-fluorophenoxy]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 107687125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).