2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]-N-propylacetamide

C15H23FN2O2 — CID 107687590

IUPAC2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]-N-propylacetamide
SMILESCCCNC(=O)COc1ccc(CNC(C)C)cc1F
InChIInChI=1S/C15H23FN2O2/c1-4-7-17-15(19)10-20-14-6-5-12(8-13(14)16)9-18-11(2)3/h5-6,8,11,18H,4,7,9-10H2,1-3H3,(H,17,19)
InChIKeyYKWIJSQOSGYOMG-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.23
Rot. Bonds8

About 2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]-N-propylacetamide

2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]-N-propylacetamide (PubChem CID 107687590) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]-N-propylacetamide.

Molecular Properties

Compound Name2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]-N-propylacetamide
PubChem CID107687590
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]-N-propylacetamide
SMILESCCCNC(=O)COc1ccc(CNC(C)C)cc1F
InChIInChI=1S/C15H23FN2O2/c1-4-7-17-15(19)10-20-14-6-5-12(8-13(14)16)9-18-11(2)3/h5-6,8,11,18H,4,7,9-10H2,1-3H3,(H,17,19)
InChIKeyYKWIJSQOSGYOMG-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
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
2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 107687356
2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 107686749
2-[4-(ethylaminomethyl)-2-fluorophenoxy]-N-(2-methylpropyl)acetamide
CID 107687125
N-(cyanomethyl)-2-[2-fluoro-4-(propylaminomethyl)phenoxy]acetamide
CID 107687312
2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-propan-2-ylacetamide
CID 107692678
1-[(4-ethoxy-3-fluorophenyl)methyl]-3-propylurea
CID 110775057
N-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methyl]propan-2-amine
CID 103615857
2-[2-bromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-propylacetamide
CID 63063547
2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide
CID 107687402
2-(2,4-difluoro-5-methylphenoxy)-N-propylacetamide
CID 142440430
N-methyl-2-[4-[(propan-2-ylamino)methyl]-2-(trifluoromethyl)phenoxy]acetamide
CID 63320110

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]-N-propylacetamide?
The IUPAC name of 2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]-N-propylacetamide (CID 107687590) is 2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]-N-propylacetamide.
What is the SMILES notation for 2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]-N-propylacetamide?
The canonical SMILES for 2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]-N-propylacetamide is CCCNC(=O)COc1ccc(CNC(C)C)cc1F.
What is the InChIKey of 2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]-N-propylacetamide?
The InChIKey is YKWIJSQOSGYOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-4-7-17-15(19)10-20-14-6-5-12(8-13(14)16)9-18-11(2)3/h5-6,8,11,18H,4,7,9-10H2,1-3H3,(H,17,19).
What are the key properties of 2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]-N-propylacetamide?
2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]-N-propylacetamide has a molecular weight of 282.36 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]-N-propylacetamide is sourced from PubChem (CID 107687590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).