3,3,3-trifluoro-2-[3-(methoxymethyl)phenoxy]propan-1-amine

C11H14F3NO2 — CID 63985750

IUPAC3,3,3-trifluoro-2-[3-(methoxymethyl)phenoxy]propan-1-amine
SMILESCOCc1cccc(OC(CN)C(F)(F)F)c1
InChIInChI=1S/C11H14F3NO2/c1-16-7-8-3-2-4-9(5-8)17-10(6-15)11(12,13)14/h2-5,10H,6-7,15H2,1H3
InChIKeyXXHPDDZOSFMFGI-UHFFFAOYSA-N
MW249.23 g/mol
LogP2.10
Rot. Bonds5

About 3,3,3-trifluoro-2-[3-(methoxymethyl)phenoxy]propan-1-amine

3,3,3-trifluoro-2-[3-(methoxymethyl)phenoxy]propan-1-amine (PubChem CID 63985750) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[3-(methoxymethyl)phenoxy]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[3-(methoxymethyl)phenoxy]propan-1-amine
PubChem CID63985750
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name3,3,3-trifluoro-2-[3-(methoxymethyl)phenoxy]propan-1-amine
SMILESCOCc1cccc(OC(CN)C(F)(F)F)c1
InChIInChI=1S/C11H14F3NO2/c1-16-7-8-3-2-4-9(5-8)17-10(6-15)11(12,13)14/h2-5,10H,6-7,15H2,1H3
InChIKeyXXHPDDZOSFMFGI-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-2-[3-(methoxymethyl)phenoxy]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(methoxymethyl)phenoxy]pentan-1-amine
CID 83045465
3-[3-(methoxymethyl)phenoxy]butan-2-amine
CID 63985757
2-[3-(methoxymethyl)phenoxy]-N-propan-2-ylpropan-1-amine
CID 63986199
2-[3-(methoxymethyl)phenoxy]pentan-3-amine
CID 63984771
2-[3-(methoxymethyl)phenoxy]-2-(5-methylthiophen-2-yl)ethanamine
CID 63986148
4-[3-(methoxymethyl)phenoxy]pentan-2-ol
CID 64720842
1-(4-fluorophenyl)-1-[3-(methoxymethyl)phenoxy]propan-2-amine
CID 63984561
2-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-amine
CID 63986561
N'-hydroxy-2-[3-(methoxymethyl)phenoxy]propanimidamide
CID 77014267
[3-(methoxymethyl)phenyl]methanamine
CID 16787292
2-[3-(methoxymethyl)phenoxy]propanimidamide
CID 63984205
1-(methoxymethoxy)-3-(methoxymethyl)benzene
CID 138736318

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[3-(methoxymethyl)phenoxy]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-[3-(methoxymethyl)phenoxy]propan-1-amine (CID 63985750) is 3,3,3-trifluoro-2-[3-(methoxymethyl)phenoxy]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-[3-(methoxymethyl)phenoxy]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-[3-(methoxymethyl)phenoxy]propan-1-amine is COCc1cccc(OC(CN)C(F)(F)F)c1.
What is the InChIKey of 3,3,3-trifluoro-2-[3-(methoxymethyl)phenoxy]propan-1-amine?
The InChIKey is XXHPDDZOSFMFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c1-16-7-8-3-2-4-9(5-8)17-10(6-15)11(12,13)14/h2-5,10H,6-7,15H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-[3-(methoxymethyl)phenoxy]propan-1-amine?
3,3,3-trifluoro-2-[3-(methoxymethyl)phenoxy]propan-1-amine has a molecular weight of 249.23 g/mol, XLogP of 2.10, 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-[3-(methoxymethyl)phenoxy]propan-1-amine is sourced from PubChem (CID 63985750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).