(1R)-1-[2-[2-(trifluoromethoxy)ethoxy]phenyl]propan-1-amine

C12H16F3NO2 — CID 79014750

IUPAC(1R)-1-[2-[2-(trifluoromethoxy)ethoxy]phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccccc1OCCOC(F)(F)F
InChIInChI=1S/C12H16F3NO2/c1-2-10(16)9-5-3-4-6-11(9)17-7-8-18-12(13,14)15/h3-6,10H,2,7-8,16H2,1H3/t10-/m1/s1
InChIKeyDSPBOXFAPQNIJU-SNVBAGLBSA-N
MW263.26 g/mol
LogP3.01
Rot. Bonds6

About (1R)-1-[2-[2-(trifluoromethoxy)ethoxy]phenyl]propan-1-amine

(1R)-1-[2-[2-(trifluoromethoxy)ethoxy]phenyl]propan-1-amine (PubChem CID 79014750) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is (1R)-1-[2-[2-(trifluoromethoxy)ethoxy]phenyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[2-[2-(trifluoromethoxy)ethoxy]phenyl]propan-1-amine
PubChem CID79014750
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name(1R)-1-[2-[2-(trifluoromethoxy)ethoxy]phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccccc1OCCOC(F)(F)F
InChIInChI=1S/C12H16F3NO2/c1-2-10(16)9-5-3-4-6-11(9)17-7-8-18-12(13,14)15/h3-6,10H,2,7-8,16H2,1H3/t10-/m1/s1
InChIKeyDSPBOXFAPQNIJU-SNVBAGLBSA-N
XLogP3.01
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (1R)-1-[2-[2-(trifluoromethoxy)ethoxy]phenyl]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

(1R)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine
CID 103939558
(1S)-1-[2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-1-amine
CID 78932925
1-[2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-1-amine
CID 61491479
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
(1S)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-amine
CID 104560938
1-(2-decoxyphenyl)propan-1-amine
CID 63501298
1-(2-nonoxyphenyl)propan-1-amine
CID 43129040
(1R)-1-(2-decoxyphenyl)propan-1-amine
CID 63485887
5-[2-[(1S)-1-aminopropyl]phenoxy]pentan-1-ol
CID 78933156
(1R)-1-(2-ethoxyphenyl)-2-fluoroethanamine
CID 124705479
(1S)-1-[4-[2-(trifluoromethoxy)ethoxy]phenyl]propan-1-amine
CID 79014746
(1S)-1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-1-amine
CID 103402915

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[2-(trifluoromethoxy)ethoxy]phenyl]propan-1-amine?
The IUPAC name of (1R)-1-[2-[2-(trifluoromethoxy)ethoxy]phenyl]propan-1-amine (CID 79014750) is (1R)-1-[2-[2-(trifluoromethoxy)ethoxy]phenyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[2-[2-(trifluoromethoxy)ethoxy]phenyl]propan-1-amine?
The canonical SMILES for (1R)-1-[2-[2-(trifluoromethoxy)ethoxy]phenyl]propan-1-amine is CC[C@@H](N)c1ccccc1OCCOC(F)(F)F.
What is the InChIKey of (1R)-1-[2-[2-(trifluoromethoxy)ethoxy]phenyl]propan-1-amine?
The InChIKey is DSPBOXFAPQNIJU-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16F3NO2/c1-2-10(16)9-5-3-4-6-11(9)17-7-8-18-12(13,14)15/h3-6,10H,2,7-8,16H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-[2-[2-(trifluoromethoxy)ethoxy]phenyl]propan-1-amine?
(1R)-1-[2-[2-(trifluoromethoxy)ethoxy]phenyl]propan-1-amine has a molecular weight of 263.26 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[2-(trifluoromethoxy)ethoxy]phenyl]propan-1-amine is sourced from PubChem (CID 79014750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).