1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanamine

C11H16FNO — CID 106881398

IUPAC1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanamine
SMILESCOCC(N)c1c(C)cc(C)cc1F
InChIInChI=1S/C11H16FNO/c1-7-4-8(2)11(9(12)5-7)10(13)6-14-3/h4-5,10H,6,13H2,1-3H3
InChIKeyMAHDPVOMJWBQAJ-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.09
Rot. Bonds3

About 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanamine

1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanamine (PubChem CID 106881398) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanamine.

Molecular Properties

Compound Name1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanamine
PubChem CID106881398
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanamine
SMILESCOCC(N)c1c(C)cc(C)cc1F
InChIInChI=1S/C11H16FNO/c1-7-4-8(2)11(9(12)5-7)10(13)6-14-3/h4-5,10H,6,13H2,1-3H3
InChIKeyMAHDPVOMJWBQAJ-UHFFFAOYSA-N
XLogP2.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-amino-2-methoxyethyl)-3,5-dimethylphenol
CID 130061720
(1R)-2-methoxy-1-(2,4,6-trifluorophenyl)ethanamine
CID 131142487
(1S)-2-methoxy-1-(2,4,6-trifluorophenyl)ethanamine
CID 130731385
3,3,3-trifluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine
CID 106881387
1-(2-fluoro-4,6-dimethylphenyl)-3-phenoxypropan-1-amine
CID 106881236
2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106883395
2-cycloheptyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106883593
2-fluoro-2-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106882935
(2,6-difluoro-4-methoxyphenyl)-(2,4,6-trimethylphenyl)methanamine
CID 60965951
1-(2-fluoro-4,6-dimethylphenyl)-2-propoxyethanol
CID 106881025
2-(5-fluoro-2-methylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine
CID 102981023
[2-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-2-methoxybutyl]hydrazine
CID 106884445

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanamine?
The IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanamine (CID 106881398) is 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanamine.
What is the SMILES notation for 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanamine?
The canonical SMILES for 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanamine is COCC(N)c1c(C)cc(C)cc1F.
What is the InChIKey of 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanamine?
The InChIKey is MAHDPVOMJWBQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-7-4-8(2)11(9(12)5-7)10(13)6-14-3/h4-5,10H,6,13H2,1-3H3.
What are the key properties of 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanamine?
1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanamine has a molecular weight of 197.25 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanamine is sourced from PubChem (CID 106881398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).