3,3,3-trifluoro-2-[(2-methoxyphenoxy)methyl]propan-1-amine

C11H14F3NO2 — CID 103366694

IUPAC3,3,3-trifluoro-2-[(2-methoxyphenoxy)methyl]propan-1-amine
SMILESCOc1ccccc1OCC(CN)C(F)(F)F
InChIInChI=1S/C11H14F3NO2/c1-16-9-4-2-3-5-10(9)17-7-8(6-15)11(12,13)14/h2-5,8H,6-7,15H2,1H3
InChIKeyZBRFUBXIOLNRCJ-UHFFFAOYSA-N
MW249.23 g/mol
LogP2.21
Rot. Bonds5

About 3,3,3-trifluoro-2-[(2-methoxyphenoxy)methyl]propan-1-amine

3,3,3-trifluoro-2-[(2-methoxyphenoxy)methyl]propan-1-amine (PubChem CID 103366694) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(2-methoxyphenoxy)methyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(2-methoxyphenoxy)methyl]propan-1-amine
PubChem CID103366694
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name3,3,3-trifluoro-2-[(2-methoxyphenoxy)methyl]propan-1-amine
SMILESCOc1ccccc1OCC(CN)C(F)(F)F
InChIInChI=1S/C11H14F3NO2/c1-16-9-4-2-3-5-10(9)17-7-8(6-15)11(12,13)14/h2-5,8H,6-7,15H2,1H3
InChIKeyZBRFUBXIOLNRCJ-UHFFFAOYSA-N
XLogP2.21
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-amino-3-(2-methoxyphenoxy)propan-2-yl]phenol
CID 117243992
2-(2-methoxyphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 117244544
(2S)-1-(2-methoxyphenoxy)-3-methylbutan-2-amine
CID 39110010
1-(2-methoxyphenoxy)-4,4-dimethylpentan-2-amine
CID 117241707
3,3-dimethyl-2-[(2-methylphenoxy)methyl]butan-1-amine
CID 117242353
2-[(2-tert-butyl-5-methylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366737
1-(2-methoxyphenoxy)propan-2-ol
CID 22036327
2-[(2-tert-butyl-4-ethylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366667
3-(2-methoxyphenoxy)propane-1,2-diol
CID 3516
3,3,3-trifluoro-2-[(2,4,6-trimethylphenoxy)methyl]propan-1-amine
CID 103366783
3-(2-methoxyphenoxy)-2-pyridin-3-ylpropan-1-amine
CID 112516632
2-(2-methoxyphenoxy)-1-(4-methylphenyl)ethanamine
CID 16783711

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(2-methoxyphenoxy)methyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-[(2-methoxyphenoxy)methyl]propan-1-amine (CID 103366694) is 3,3,3-trifluoro-2-[(2-methoxyphenoxy)methyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-[(2-methoxyphenoxy)methyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-[(2-methoxyphenoxy)methyl]propan-1-amine is COc1ccccc1OCC(CN)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[(2-methoxyphenoxy)methyl]propan-1-amine?
The InChIKey is ZBRFUBXIOLNRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c1-16-9-4-2-3-5-10(9)17-7-8(6-15)11(12,13)14/h2-5,8H,6-7,15H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-[(2-methoxyphenoxy)methyl]propan-1-amine?
3,3,3-trifluoro-2-[(2-methoxyphenoxy)methyl]propan-1-amine has a molecular weight of 249.23 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(2-methoxyphenoxy)methyl]propan-1-amine is sourced from PubChem (CID 103366694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).