5-methoxy-2-[1-[methyl(2,2,2-trifluoroethyl)amino]ethyl]phenol

C12H16F3NO2 — CID 82982095

IUPAC5-methoxy-2-[1-[methyl(2,2,2-trifluoroethyl)amino]ethyl]phenol
SMILESCOc1ccc(C(C)N(C)CC(F)(F)F)c(O)c1
InChIInChI=1S/C12H16F3NO2/c1-8(16(2)7-12(13,14)15)10-5-4-9(18-3)6-11(10)17/h4-6,8,17H,7H2,1-3H3
InChIKeyDLFPJJUIPWRGAP-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.96
Rot. Bonds4

About 5-methoxy-2-[1-[methyl(2,2,2-trifluoroethyl)amino]ethyl]phenol

5-methoxy-2-[1-[methyl(2,2,2-trifluoroethyl)amino]ethyl]phenol (PubChem CID 82982095) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 5-methoxy-2-[1-[methyl(2,2,2-trifluoroethyl)amino]ethyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[1-[methyl(2,2,2-trifluoroethyl)amino]ethyl]phenol
PubChem CID82982095
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name5-methoxy-2-[1-[methyl(2,2,2-trifluoroethyl)amino]ethyl]phenol
SMILESCOc1ccc(C(C)N(C)CC(F)(F)F)c(O)c1
InChIInChI=1S/C12H16F3NO2/c1-8(16(2)7-12(13,14)15)10-5-4-9(18-3)6-11(10)17/h4-6,8,17H,7H2,1-3H3
InChIKeyDLFPJJUIPWRGAP-UHFFFAOYSA-N
XLogP2.96
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-methoxy-2-[1-[methyl(2,2,2-trifluoroethyl)amino]ethyl]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

5-methoxy-2-[1-[propyl(2,2,2-trifluoroethyl)amino]ethyl]phenol
CID 82982580
5-methoxy-2-[1-[3-methoxypropyl(methyl)amino]ethyl]phenol
CID 82980149
5-methoxy-2-[1-[methyl(pentan-3-yl)amino]ethyl]phenol
CID 82976674
2-[(1R)-1-amino-4,4,4-trifluorobutyl]-5-methoxyphenol
CID 171200659
2-[1-(4-ethyl-N-methylanilino)ethyl]-5-methoxyphenol
CID 82957371
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-5-methoxyphenol
CID 66511004
4-methoxy-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 82982576
2-[1-(2-hydroxy-5-methoxyphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264175
5-methoxy-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol
CID 82986264
5-methoxy-2-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]phenol
CID 82980691
2-[(1S)-1-amino-2,2-dimethylpropyl]-5-methoxyphenol;hydrochloride
CID 171239815
5-fluoro-2-[1-(4-methoxy-N-methylanilino)ethyl]phenol
CID 82978158

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[1-[methyl(2,2,2-trifluoroethyl)amino]ethyl]phenol?
The IUPAC name of 5-methoxy-2-[1-[methyl(2,2,2-trifluoroethyl)amino]ethyl]phenol (CID 82982095) is 5-methoxy-2-[1-[methyl(2,2,2-trifluoroethyl)amino]ethyl]phenol.
What is the SMILES notation for 5-methoxy-2-[1-[methyl(2,2,2-trifluoroethyl)amino]ethyl]phenol?
The canonical SMILES for 5-methoxy-2-[1-[methyl(2,2,2-trifluoroethyl)amino]ethyl]phenol is COc1ccc(C(C)N(C)CC(F)(F)F)c(O)c1.
What is the InChIKey of 5-methoxy-2-[1-[methyl(2,2,2-trifluoroethyl)amino]ethyl]phenol?
The InChIKey is DLFPJJUIPWRGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c1-8(16(2)7-12(13,14)15)10-5-4-9(18-3)6-11(10)17/h4-6,8,17H,7H2,1-3H3.
What are the key properties of 5-methoxy-2-[1-[methyl(2,2,2-trifluoroethyl)amino]ethyl]phenol?
5-methoxy-2-[1-[methyl(2,2,2-trifluoroethyl)amino]ethyl]phenol has a molecular weight of 263.26 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[1-[methyl(2,2,2-trifluoroethyl)amino]ethyl]phenol is sourced from PubChem (CID 82982095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).