N-ethyl-1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-amine

C13H18F3NO2 — CID 107506501

IUPACN-ethyl-1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-amine
SMILESCCNC(COC)COc1ccccc1C(F)(F)F
InChIInChI=1S/C13H18F3NO2/c1-3-17-10(8-18-2)9-19-12-7-5-4-6-11(12)13(14,15)16/h4-7,10,17H,3,8-9H2,1-2H3
InChIKeyZGQGPVUCPSBYGQ-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.71
Rot. Bonds7

About N-ethyl-1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-amine

N-ethyl-1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-amine (PubChem CID 107506501) has the molecular formula C13H18F3NO2 and a molecular weight of 277.29 g/mol. Its IUPAC name is N-ethyl-1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-amine
PubChem CID107506501
Molecular FormulaC13H18F3NO2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC NameN-ethyl-1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-amine
SMILESCCNC(COC)COc1ccccc1C(F)(F)F
InChIInChI=1S/C13H18F3NO2/c1-3-17-10(8-18-2)9-19-12-7-5-4-6-11(12)13(14,15)16/h4-7,10,17H,3,8-9H2,1-2H3
InChIKeyZGQGPVUCPSBYGQ-UHFFFAOYSA-N
XLogP2.71
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-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

1-(2-ethoxyphenoxy)-N-ethyl-3-methoxypropan-2-amine
CID 107506539
N-ethyl-1-methoxy-3-[3-(trifluoromethyl)-2-pyridinyl]propan-2-amine
CID 63197351
N-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine
CID 62043196
N-ethyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 55120507
1-(2-methoxyethoxy)-2-(trifluoromethyl)benzene
CID 25185445
4-methoxy-1-[2-(trifluoromethyl)phenoxy]butan-2-amine
CID 117236717
1-(2-tert-butyl-5-methylphenoxy)-N-ethyl-3-methoxypropan-2-amine
CID 107506741
1-(2,2-diethoxyethoxy)-2-(trifluoromethyl)benzene
CID 63628931
N-ethyl-1-methoxy-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 62603541
N-ethyl-3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 62800996
N-ethyl-1-methoxy-3-(4-methylphenoxy)propan-2-amine
CID 107506620
N-ethyl-1-methoxy-3-(4-propoxyphenoxy)propan-2-amine
CID 107506697

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-amine?
The IUPAC name of N-ethyl-1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-amine (CID 107506501) is N-ethyl-1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-amine.
What is the SMILES notation for N-ethyl-1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-amine?
The canonical SMILES for N-ethyl-1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-amine is CCNC(COC)COc1ccccc1C(F)(F)F.
What is the InChIKey of N-ethyl-1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-amine?
The InChIKey is ZGQGPVUCPSBYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO2/c1-3-17-10(8-18-2)9-19-12-7-5-4-6-11(12)13(14,15)16/h4-7,10,17H,3,8-9H2,1-2H3.
What are the key properties of N-ethyl-1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-amine?
N-ethyl-1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-amine has a molecular weight of 277.29 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-amine is sourced from PubChem (CID 107506501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).