3-(2-fluoro-3-methylphenoxy)-2-methylpropan-1-amine

C11H16FNO — CID 107659711

IUPAC3-(2-fluoro-3-methylphenoxy)-2-methylpropan-1-amine
SMILESCc1cccc(OCC(C)CN)c1F
InChIInChI=1S/C11H16FNO/c1-8(6-13)7-14-10-5-3-4-9(2)11(10)12/h3-5,8H,6-7,13H2,1-2H3
InChIKeyDZUVKMJVFUTKAJ-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.11
Rot. Bonds4

About 3-(2-fluoro-3-methylphenoxy)-2-methylpropan-1-amine

3-(2-fluoro-3-methylphenoxy)-2-methylpropan-1-amine (PubChem CID 107659711) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 3-(2-fluoro-3-methylphenoxy)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2-fluoro-3-methylphenoxy)-2-methylpropan-1-amine
PubChem CID107659711
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name3-(2-fluoro-3-methylphenoxy)-2-methylpropan-1-amine
SMILESCc1cccc(OCC(C)CN)c1F
InChIInChI=1S/C11H16FNO/c1-8(6-13)7-14-10-5-3-4-9(2)11(10)12/h3-5,8H,6-7,13H2,1-2H3
InChIKeyDZUVKMJVFUTKAJ-UHFFFAOYSA-N
XLogP2.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-difluoroethoxy)-2-fluoro-3-methylbenzene
CID 104853711
1-(2-fluoro-3-methylphenoxy)-3-methylpentan-2-ol
CID 107660344
(2S)-2-methyl-3-(3-methylphenoxy)propan-1-amine
CID 93237376
1-ethoxy-2-fluoro-3-methylbenzene
CID 59732440
methyl 2-amino-3-(2-fluoro-3-methylphenoxy)propanoate
CID 107660467
3-(2-bromo-4-fluorophenoxy)-2-methylpropan-1-amine
CID 43531039
2-[2-(2-fluoro-3-methylphenoxy)ethoxy]ethanamine
CID 107658319
1-(2,5-difluorophenyl)-2-(2-fluoro-3-methylphenoxy)ethanamine
CID 107657092
1-(2-fluoro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 107657511
2-(2-fluoro-3-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 103975241
1-but-2-ynoxy-2-fluoro-3-methylbenzene
CID 103988295
3-methyl-2-[(2-methylphenoxy)methyl]butan-1-amine
CID 117242351

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-3-methylphenoxy)-2-methylpropan-1-amine?
The IUPAC name of 3-(2-fluoro-3-methylphenoxy)-2-methylpropan-1-amine (CID 107659711) is 3-(2-fluoro-3-methylphenoxy)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(2-fluoro-3-methylphenoxy)-2-methylpropan-1-amine?
The canonical SMILES for 3-(2-fluoro-3-methylphenoxy)-2-methylpropan-1-amine is Cc1cccc(OCC(C)CN)c1F.
What is the InChIKey of 3-(2-fluoro-3-methylphenoxy)-2-methylpropan-1-amine?
The InChIKey is DZUVKMJVFUTKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-8(6-13)7-14-10-5-3-4-9(2)11(10)12/h3-5,8H,6-7,13H2,1-2H3.
What are the key properties of 3-(2-fluoro-3-methylphenoxy)-2-methylpropan-1-amine?
3-(2-fluoro-3-methylphenoxy)-2-methylpropan-1-amine has a molecular weight of 197.25 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-3-methylphenoxy)-2-methylpropan-1-amine is sourced from PubChem (CID 107659711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).