2-[2-fluoro-6-[(propan-2-ylamino)methyl]phenoxy]-N-(2-methylpropyl)acetamide

C16H25FN2O2 — CID 115955069

IUPAC2-[2-fluoro-6-[(propan-2-ylamino)methyl]phenoxy]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)COc1c(F)cccc1CNC(C)C
InChIInChI=1S/C16H25FN2O2/c1-11(2)8-19-15(20)10-21-16-13(9-18-12(3)4)6-5-7-14(16)17/h5-7,11-12,18H,8-10H2,1-4H3,(H,19,20)
InChIKeyNEJVHSIGBMKXMO-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.47
Rot. Bonds8

About 2-[2-fluoro-6-[(propan-2-ylamino)methyl]phenoxy]-N-(2-methylpropyl)acetamide

2-[2-fluoro-6-[(propan-2-ylamino)methyl]phenoxy]-N-(2-methylpropyl)acetamide (PubChem CID 115955069) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[2-fluoro-6-[(propan-2-ylamino)methyl]phenoxy]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[2-fluoro-6-[(propan-2-ylamino)methyl]phenoxy]-N-(2-methylpropyl)acetamide
PubChem CID115955069
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name2-[2-fluoro-6-[(propan-2-ylamino)methyl]phenoxy]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)COc1c(F)cccc1CNC(C)C
InChIInChI=1S/C16H25FN2O2/c1-11(2)8-19-15(20)10-21-16-13(9-18-12(3)4)6-5-7-14(16)17/h5-7,11-12,18H,8-10H2,1-4H3,(H,19,20)
InChIKeyNEJVHSIGBMKXMO-UHFFFAOYSA-N
XLogP2.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]-N-prop-2-ynylacetamide
CID 115955257
N-[[3-fluoro-2-(2-methylidenebutoxy)phenyl]methyl]propan-2-amine
CID 112610694
N-ethyl-2-[2-methyl-6-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 112610064
2-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide
CID 112610813
2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(3-methylbutyl)acetamide
CID 115957884
2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]-N-(2-methylpropyl)acetamide
CID 107687871
2-[2-chloro-6-[(propan-2-ylamino)methyl]phenoxy]-N-prop-2-ynylacetamide
CID 115954513
4-[2-fluoro-6-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylbutanamide
CID 115955089
N-[[3-fluoro-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 115955092
N-[(3-fluoro-2-heptoxyphenyl)methyl]propan-2-amine
CID 115954986
2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N-methylacetamide
CID 112609657
3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide
CID 115955331

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-6-[(propan-2-ylamino)methyl]phenoxy]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[2-fluoro-6-[(propan-2-ylamino)methyl]phenoxy]-N-(2-methylpropyl)acetamide (CID 115955069) is 2-[2-fluoro-6-[(propan-2-ylamino)methyl]phenoxy]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[2-fluoro-6-[(propan-2-ylamino)methyl]phenoxy]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[2-fluoro-6-[(propan-2-ylamino)methyl]phenoxy]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)COc1c(F)cccc1CNC(C)C.
What is the InChIKey of 2-[2-fluoro-6-[(propan-2-ylamino)methyl]phenoxy]-N-(2-methylpropyl)acetamide?
The InChIKey is NEJVHSIGBMKXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-11(2)8-19-15(20)10-21-16-13(9-18-12(3)4)6-5-7-14(16)17/h5-7,11-12,18H,8-10H2,1-4H3,(H,19,20).
What are the key properties of 2-[2-fluoro-6-[(propan-2-ylamino)methyl]phenoxy]-N-(2-methylpropyl)acetamide?
2-[2-fluoro-6-[(propan-2-ylamino)methyl]phenoxy]-N-(2-methylpropyl)acetamide has a molecular weight of 296.39 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-6-[(propan-2-ylamino)methyl]phenoxy]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 115955069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).