1-(4-propan-2-yloxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine

C13H18F3NO2 — CID 16785577

IUPAC1-(4-propan-2-yloxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCC(C)Oc1ccc(C(N)COCC(F)(F)F)cc1
InChIInChI=1S/C13H18F3NO2/c1-9(2)19-11-5-3-10(4-6-11)12(17)7-18-8-13(14,15)16/h3-6,9,12H,7-8,17H2,1-2H3
InChIKeyYRGQEJWRLVEPPW-UHFFFAOYSA-N
MW277.29 g/mol
LogP3.05
Rot. Bonds6

About 1-(4-propan-2-yloxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine

1-(4-propan-2-yloxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 16785577) has the molecular formula C13H18F3NO2 and a molecular weight of 277.29 g/mol. Its IUPAC name is 1-(4-propan-2-yloxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(4-propan-2-yloxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID16785577
Molecular FormulaC13H18F3NO2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Name1-(4-propan-2-yloxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCC(C)Oc1ccc(C(N)COCC(F)(F)F)cc1
InChIInChI=1S/C13H18F3NO2/c1-9(2)19-11-5-3-10(4-6-11)12(17)7-18-8-13(14,15)16/h3-6,9,12H,7-8,17H2,1-2H3
InChIKeyYRGQEJWRLVEPPW-UHFFFAOYSA-N
XLogP3.05
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-propan-2-yloxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine 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

(1R)-4,4,4-trifluoro-1-(4-propan-2-yloxyphenyl)butan-1-amine
CID 171210773
1-(4-butan-2-ylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207062
N'-methyl-1-(4-propan-2-yloxyphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 60891559
2-(4-fluorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 16788405
2-(3-methylbutoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 43184192
2-butan-2-yloxy-1-(4-propan-2-yloxyphenyl)ethanamine
CID 54944095
1-naphthalen-2-yl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 16780890
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 107289462
(1S)-2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride
CID 171250019
(1S)-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine;hydrochloride
CID 171230356
1-[4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]propan-1-amine
CID 61492150
2-heptoxy-1-(4-propan-2-yloxyphenyl)ethanamine
CID 43127517

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yloxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(4-propan-2-yloxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 16785577) is 1-(4-propan-2-yloxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(4-propan-2-yloxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(4-propan-2-yloxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine is CC(C)Oc1ccc(C(N)COCC(F)(F)F)cc1.
What is the InChIKey of 1-(4-propan-2-yloxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is YRGQEJWRLVEPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO2/c1-9(2)19-11-5-3-10(4-6-11)12(17)7-18-8-13(14,15)16/h3-6,9,12H,7-8,17H2,1-2H3.
What are the key properties of 1-(4-propan-2-yloxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(4-propan-2-yloxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 277.29 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yloxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 16785577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).