2-[2-(aminomethyl)-4-(trifluoromethyl)phenoxy]ethanol

C10H12F3NO2 — CID 43153652

IUPAC2-[2-(aminomethyl)-4-(trifluoromethyl)phenoxy]ethanol
SMILESNCc1cc(C(F)(F)F)ccc1OCCO
InChIInChI=1S/C10H12F3NO2/c11-10(12,13)8-1-2-9(16-4-3-15)7(5-8)6-14/h1-2,5,15H,3-4,6,14H2
InChIKeyHXHRUUAGKJAZQC-UHFFFAOYSA-N
MW235.20 g/mol
LogP1.54
Rot. Bonds4

About 2-[2-(aminomethyl)-4-(trifluoromethyl)phenoxy]ethanol

2-[2-(aminomethyl)-4-(trifluoromethyl)phenoxy]ethanol (PubChem CID 43153652) has the molecular formula C10H12F3NO2 and a molecular weight of 235.20 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-(trifluoromethyl)phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-(trifluoromethyl)phenoxy]ethanol
PubChem CID43153652
Molecular FormulaC10H12F3NO2
Molecular Weight235.20 g/mol
Exact Mass235.08
IUPAC Name2-[2-(aminomethyl)-4-(trifluoromethyl)phenoxy]ethanol
SMILESNCc1cc(C(F)(F)F)ccc1OCCO
InChIInChI=1S/C10H12F3NO2/c11-10(12,13)8-1-2-9(16-4-3-15)7(5-8)6-14/h1-2,5,15H,3-4,6,14H2
InChIKeyHXHRUUAGKJAZQC-UHFFFAOYSA-N
XLogP1.54
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(aminomethyl)-4-(trifluoromethyl)phenoxy]ethanol 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-butoxy-5-(trifluoromethyl)phenyl]methanamine
CID 43267438
[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]methanamine
CID 43153637
2-[2-ethyl-4-[2-[3-ethyl-4-(2-hydroxyethoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]ethanol
CID 139707349
2-[2-(aminomethyl)phenoxy]ethanol;hydrochloride
CID 67183570
[2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 172650045
[2-(trifluoromethoxy)-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 172649997
[5-fluoro-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 107694821
[2-(2-bromophenoxy)-5-(trifluoromethyl)phenyl]methanamine
CID 43528602
2-[4-(aminomethyl)-3-bromo-2-fluorophenoxy]ethanol
CID 107532624
[2-(2-bromo-4-methylphenoxy)-5-(trifluoromethyl)phenyl]methanamine
CID 43528674
[2-(3-methylphenoxy)-5-(trifluoromethyl)phenyl]methanamine
CID 43331214
N-[2-(aminomethyl)-5-(trifluoromethyl)phenyl]hydroxylamine
CID 171931128

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-(trifluoromethyl)phenoxy]ethanol?
The IUPAC name of 2-[2-(aminomethyl)-4-(trifluoromethyl)phenoxy]ethanol (CID 43153652) is 2-[2-(aminomethyl)-4-(trifluoromethyl)phenoxy]ethanol.
What is the SMILES notation for 2-[2-(aminomethyl)-4-(trifluoromethyl)phenoxy]ethanol?
The canonical SMILES for 2-[2-(aminomethyl)-4-(trifluoromethyl)phenoxy]ethanol is NCc1cc(C(F)(F)F)ccc1OCCO.
What is the InChIKey of 2-[2-(aminomethyl)-4-(trifluoromethyl)phenoxy]ethanol?
The InChIKey is HXHRUUAGKJAZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2/c11-10(12,13)8-1-2-9(16-4-3-15)7(5-8)6-14/h1-2,5,15H,3-4,6,14H2.
What are the key properties of 2-[2-(aminomethyl)-4-(trifluoromethyl)phenoxy]ethanol?
2-[2-(aminomethyl)-4-(trifluoromethyl)phenoxy]ethanol has a molecular weight of 235.20 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-(trifluoromethyl)phenoxy]ethanol is sourced from PubChem (CID 43153652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).