2-[1-(methylamino)ethyl]-5-(trifluoromethyl)phenol

C10H12F3NO — CID 130023220

IUPAC2-[1-(methylamino)ethyl]-5-(trifluoromethyl)phenol
SMILESCNC(C)c1ccc(C(F)(F)F)cc1O
InChIInChI=1S/C10H12F3NO/c1-6(14-2)8-4-3-7(5-9(8)15)10(11,12)13/h3-6,14-15H,1-2H3
InChIKeyOBBATOTXKCFBFV-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.69
Rot. Bonds2

About 2-[1-(methylamino)ethyl]-5-(trifluoromethyl)phenol

2-[1-(methylamino)ethyl]-5-(trifluoromethyl)phenol (PubChem CID 130023220) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 2-[1-(methylamino)ethyl]-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-[1-(methylamino)ethyl]-5-(trifluoromethyl)phenol
PubChem CID130023220
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name2-[1-(methylamino)ethyl]-5-(trifluoromethyl)phenol
SMILESCNC(C)c1ccc(C(F)(F)F)cc1O
InChIInChI=1S/C10H12F3NO/c1-6(14-2)8-4-3-7(5-9(8)15)10(11,12)13/h3-6,14-15H,1-2H3
InChIKeyOBBATOTXKCFBFV-UHFFFAOYSA-N
XLogP2.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[1-(methylamino)ethyl]-5-(trifluoromethyl)phenol 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

ethane;2-propan-2-yl-5-(trifluoromethyl)phenol
CID 177136292
3-hydroxy-4-[(1R)-1-(methylamino)ethyl]benzoic acid
CID 55276123
5-fluoro-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol
CID 63065466
N-methyl-1-[5-(trifluoromethyl)-1-benzofuran-3-yl]ethanamine
CID 117195401
N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]ethanamine
CID 117195462
3-amino-1-[2-hydroxy-4-(trifluoromethyl)phenyl]propane-1,2-diol
CID 170828607
ethyl 2-hydroxy-2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetate
CID 117414481
2-sulfanyl-5-(trifluoromethyl)phenol
CID 130035062
4-bromo-1-[2-hydroxy-4-(trifluoromethyl)phenyl]butane-1,2-diol
CID 171892595
1-propan-2-yl-2,4-bis(trifluoromethyl)benzene
CID 20613821
2-[1-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]phenol
CID 43192351
2-[1-(methylamino)ethyl]-5-(N,3,5-trimethylanilino)phenol
CID 79590960

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylamino)ethyl]-5-(trifluoromethyl)phenol?
The IUPAC name of 2-[1-(methylamino)ethyl]-5-(trifluoromethyl)phenol (CID 130023220) is 2-[1-(methylamino)ethyl]-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-[1-(methylamino)ethyl]-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-[1-(methylamino)ethyl]-5-(trifluoromethyl)phenol is CNC(C)c1ccc(C(F)(F)F)cc1O.
What is the InChIKey of 2-[1-(methylamino)ethyl]-5-(trifluoromethyl)phenol?
The InChIKey is OBBATOTXKCFBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-6(14-2)8-4-3-7(5-9(8)15)10(11,12)13/h3-6,14-15H,1-2H3.
What are the key properties of 2-[1-(methylamino)ethyl]-5-(trifluoromethyl)phenol?
2-[1-(methylamino)ethyl]-5-(trifluoromethyl)phenol has a molecular weight of 219.21 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylamino)ethyl]-5-(trifluoromethyl)phenol is sourced from PubChem (CID 130023220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).