2-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-N-methylethanamine

C11H15F2NO — CID 117306682

IUPAC2-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-N-methylethanamine
SMILESCNCCc1cc(CF)cc(F)c1OC
InChIInChI=1S/C11H15F2NO/c1-14-4-3-9-5-8(7-12)6-10(13)11(9)15-2/h5-6,14H,3-4,7H2,1-2H3
InChIKeyRUPMWSREYTZIKJ-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.07
Rot. Bonds5

About 2-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-N-methylethanamine

2-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-N-methylethanamine (PubChem CID 117306682) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 2-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-N-methylethanamine
PubChem CID117306682
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name2-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-N-methylethanamine
SMILESCNCCc1cc(CF)cc(F)c1OC
InChIInChI=1S/C11H15F2NO/c1-14-4-3-9-5-8(7-12)6-10(13)11(9)15-2/h5-6,14H,3-4,7H2,1-2H3
InChIKeyRUPMWSREYTZIKJ-UHFFFAOYSA-N
XLogP2.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]methyl]hydroxylamine
CID 117291324
1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-2-methylpropan-2-amine
CID 117330478
3-fluoro-2-methoxy-5-[2-(methylamino)ethyl]benzonitrile
CID 117297397
2-(3-bromo-4-fluoro-2-methoxyphenyl)-N-methylethanamine
CID 83902051
3-fluoro-2-methoxy-6-[2-(methylamino)ethyl]phenol
CID 84668839
4-(fluoromethyl)-2-[2-(methylamino)ethyl]phenol
CID 84659130
N-methyl-2-(3,4,5-trifluorophenyl)ethanamine
CID 64866186
3,4-dimethoxy-5-[2-(methylamino)ethyl]benzaldehyde
CID 117320008
3-fluoro-5-(fluoromethyl)-2-methoxybenzoic acid
CID 84670427
2-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]propan-2-amine
CID 117306665
1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]ethanone
CID 84669284
2-[3-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanamine
CID 83886037

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-N-methylethanamine?
The IUPAC name of 2-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-N-methylethanamine (CID 117306682) is 2-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-N-methylethanamine.
What is the SMILES notation for 2-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-N-methylethanamine?
The canonical SMILES for 2-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-N-methylethanamine is CNCCc1cc(CF)cc(F)c1OC.
What is the InChIKey of 2-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-N-methylethanamine?
The InChIKey is RUPMWSREYTZIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-14-4-3-9-5-8(7-12)6-10(13)11(9)15-2/h5-6,14H,3-4,7H2,1-2H3.
What are the key properties of 2-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-N-methylethanamine?
2-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-N-methylethanamine has a molecular weight of 215.24 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-N-methylethanamine is sourced from PubChem (CID 117306682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).