2-(ethylaminomethyl)-5-(trifluoromethyl)phenol

C10H12F3NO — CID 82549994

IUPAC2-(ethylaminomethyl)-5-(trifluoromethyl)phenol
SMILESCCNCc1ccc(C(F)(F)F)cc1O
InChIInChI=1S/C10H12F3NO/c1-2-14-6-7-3-4-8(5-9(7)15)10(11,12)13/h3-5,14-15H,2,6H2,1H3
InChIKeyKERWKJISWUGAQF-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.52
Rot. Bonds3

About 2-(ethylaminomethyl)-5-(trifluoromethyl)phenol

2-(ethylaminomethyl)-5-(trifluoromethyl)phenol (PubChem CID 82549994) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(ethylaminomethyl)-5-(trifluoromethyl)phenol
PubChem CID82549994
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name2-(ethylaminomethyl)-5-(trifluoromethyl)phenol
SMILESCCNCc1ccc(C(F)(F)F)cc1O
InChIInChI=1S/C10H12F3NO/c1-2-14-6-7-3-4-8(5-9(7)15)10(11,12)13/h3-5,14-15H,2,6H2,1H3
InChIKeyKERWKJISWUGAQF-UHFFFAOYSA-N
XLogP2.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-5-(trifluoromethyl)phenol?
The IUPAC name of 2-(ethylaminomethyl)-5-(trifluoromethyl)phenol (CID 82549994) is 2-(ethylaminomethyl)-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(ethylaminomethyl)-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-(ethylaminomethyl)-5-(trifluoromethyl)phenol is CCNCc1ccc(C(F)(F)F)cc1O.
What is the InChIKey of 2-(ethylaminomethyl)-5-(trifluoromethyl)phenol?
The InChIKey is KERWKJISWUGAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-2-14-6-7-3-4-8(5-9(7)15)10(11,12)13/h3-5,14-15H,2,6H2,1H3.
What are the key properties of 2-(ethylaminomethyl)-5-(trifluoromethyl)phenol?
2-(ethylaminomethyl)-5-(trifluoromethyl)phenol has a molecular weight of 219.21 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-5-(trifluoromethyl)phenol is sourced from PubChem (CID 82549994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).