3,3,3-trifluoro-2-(2-methoxy-4-methylphenoxy)propan-1-amine

C11H14F3NO2 — CID 43752910

IUPAC3,3,3-trifluoro-2-(2-methoxy-4-methylphenoxy)propan-1-amine
SMILESCOc1cc(C)ccc1OC(CN)C(F)(F)F
InChIInChI=1S/C11H14F3NO2/c1-7-3-4-8(9(5-7)16-2)17-10(6-15)11(12,13)14/h3-5,10H,6,15H2,1-2H3
InChIKeyZBSFOERDGGZBCT-UHFFFAOYSA-N
MW249.23 g/mol
LogP2.27
Rot. Bonds4

About 3,3,3-trifluoro-2-(2-methoxy-4-methylphenoxy)propan-1-amine

3,3,3-trifluoro-2-(2-methoxy-4-methylphenoxy)propan-1-amine (PubChem CID 43752910) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(2-methoxy-4-methylphenoxy)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(2-methoxy-4-methylphenoxy)propan-1-amine
PubChem CID43752910
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name3,3,3-trifluoro-2-(2-methoxy-4-methylphenoxy)propan-1-amine
SMILESCOc1cc(C)ccc1OC(CN)C(F)(F)F
InChIInChI=1S/C11H14F3NO2/c1-7-3-4-8(9(5-7)16-2)17-10(6-15)11(12,13)14/h3-5,10H,6,15H2,1-2H3
InChIKeyZBSFOERDGGZBCT-UHFFFAOYSA-N
XLogP2.27
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4,4-trifluoro-3-(2-methoxy-4-methylphenoxy)butan-1-amine
CID 43753296
2-(2-tert-butyl-5-methylphenoxy)-3,3,3-trifluoropropan-1-amine
CID 43752972
2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine
CID 55017730
3-amino-2-(2-methoxy-4-methylphenoxy)propanoic acid
CID 64694661
2-(2-tert-butyl-4-methylphenoxy)-3,3,4,4,4-pentafluorobutan-1-amine
CID 165439977
4-(2-methoxy-4-methylphenoxy)pentan-2-amine
CID 64708300
O-(2-methoxy-4-methylphenyl)hydroxylamine
CID 56611281
3-amino-1,1,1-trifluoro-2-(2-methoxy-4-methylphenyl)propan-2-ol
CID 83919722
2-(3,4-dimethoxyphenyl)-3,3,3-trifluoropropan-1-amine
CID 70589172
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methylaniline
CID 102721568
4,4,4-trifluoro-1-(2-methoxy-5-methylphenyl)-3-(trifluoromethyl)butan-2-amine
CID 103311787
2-methoxy-4-methyl-1-[2-(trifluoromethoxy)ethoxy]benzene
CID 58550881

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(2-methoxy-4-methylphenoxy)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-(2-methoxy-4-methylphenoxy)propan-1-amine (CID 43752910) is 3,3,3-trifluoro-2-(2-methoxy-4-methylphenoxy)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-(2-methoxy-4-methylphenoxy)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-(2-methoxy-4-methylphenoxy)propan-1-amine is COc1cc(C)ccc1OC(CN)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(2-methoxy-4-methylphenoxy)propan-1-amine?
The InChIKey is ZBSFOERDGGZBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c1-7-3-4-8(9(5-7)16-2)17-10(6-15)11(12,13)14/h3-5,10H,6,15H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-2-(2-methoxy-4-methylphenoxy)propan-1-amine?
3,3,3-trifluoro-2-(2-methoxy-4-methylphenoxy)propan-1-amine has a molecular weight of 249.23 g/mol, XLogP of 2.27, 4 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-methoxy-4-methylphenoxy)propan-1-amine is sourced from PubChem (CID 43752910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).