1-amino-2,2,2-trifluoro-1-[2-(2-hydroxyethyl)-4-methoxyphenyl]ethanol

C11H14F3NO3 — CID 163835192

IUPAC1-amino-2,2,2-trifluoro-1-[2-(2-hydroxyethyl)-4-methoxyphenyl]ethanol
SMILESCOc1ccc(C(N)(O)C(F)(F)F)c(CCO)c1
InChIInChI=1S/C11H14F3NO3/c1-18-8-2-3-9(7(6-8)4-5-16)10(15,17)11(12,13)14/h2-3,6,16-17H,4-5,15H2,1H3
InChIKeyOHDDCSWRJPDDPA-UHFFFAOYSA-N
MW265.23 g/mol
LogP0.90
Rot. Bonds4

About 1-amino-2,2,2-trifluoro-1-[2-(2-hydroxyethyl)-4-methoxyphenyl]ethanol

1-amino-2,2,2-trifluoro-1-[2-(2-hydroxyethyl)-4-methoxyphenyl]ethanol (PubChem CID 163835192) has the molecular formula C11H14F3NO3 and a molecular weight of 265.23 g/mol. Its IUPAC name is 1-amino-2,2,2-trifluoro-1-[2-(2-hydroxyethyl)-4-methoxyphenyl]ethanol.

Molecular Properties

Compound Name1-amino-2,2,2-trifluoro-1-[2-(2-hydroxyethyl)-4-methoxyphenyl]ethanol
PubChem CID163835192
Molecular FormulaC11H14F3NO3
Molecular Weight265.23 g/mol
Exact Mass265.09
IUPAC Name1-amino-2,2,2-trifluoro-1-[2-(2-hydroxyethyl)-4-methoxyphenyl]ethanol
SMILESCOc1ccc(C(N)(O)C(F)(F)F)c(CCO)c1
InChIInChI=1S/C11H14F3NO3/c1-18-8-2-3-9(7(6-8)4-5-16)10(15,17)11(12,13)14/h2-3,6,16-17H,4-5,15H2,1H3
InChIKeyOHDDCSWRJPDDPA-UHFFFAOYSA-N
XLogP0.90
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-amino-2,2,2-trifluoro-1-[2-(2-hydroxyethyl)-4-methoxyphenyl]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

1,1,1-trifluoro-2-(4-methoxy-2-propylphenyl)propan-2-ol
CID 20657918
2-(2-bromo-5-methoxyphenyl)ethanol
CID 10489678
2-(2-chloro-4-methoxyphenyl)ethanol
CID 66697098
2-[5-methoxy-2-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]ethyl 4-bromobenzoate
CID 101260390
2-(5-methoxy-2-piperidin-1-ylphenyl)ethanol
CID 117343468
3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol
CID 63083264
[2-(1-aminoethyl)-5-methoxyphenyl]methanol
CID 130042307
[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 43268000
2-[4-methoxy-2-(trifluoromethyl)phenyl]propan-2-amine
CID 117337731
2-amino-2-(2-fluoro-5-methoxyphenyl)propan-1-ol
CID 55271150
3-amino-2-(2,4-dimethoxyphenyl)-1,1,1-trifluoropentan-2-ol
CID 63082925
2-(2-hydroxyethyl)-4-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331622

Frequently Asked Questions

What is the IUPAC name of 1-amino-2,2,2-trifluoro-1-[2-(2-hydroxyethyl)-4-methoxyphenyl]ethanol?
The IUPAC name of 1-amino-2,2,2-trifluoro-1-[2-(2-hydroxyethyl)-4-methoxyphenyl]ethanol (CID 163835192) is 1-amino-2,2,2-trifluoro-1-[2-(2-hydroxyethyl)-4-methoxyphenyl]ethanol.
What is the SMILES notation for 1-amino-2,2,2-trifluoro-1-[2-(2-hydroxyethyl)-4-methoxyphenyl]ethanol?
The canonical SMILES for 1-amino-2,2,2-trifluoro-1-[2-(2-hydroxyethyl)-4-methoxyphenyl]ethanol is COc1ccc(C(N)(O)C(F)(F)F)c(CCO)c1.
What is the InChIKey of 1-amino-2,2,2-trifluoro-1-[2-(2-hydroxyethyl)-4-methoxyphenyl]ethanol?
The InChIKey is OHDDCSWRJPDDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3/c1-18-8-2-3-9(7(6-8)4-5-16)10(15,17)11(12,13)14/h2-3,6,16-17H,4-5,15H2,1H3.
What are the key properties of 1-amino-2,2,2-trifluoro-1-[2-(2-hydroxyethyl)-4-methoxyphenyl]ethanol?
1-amino-2,2,2-trifluoro-1-[2-(2-hydroxyethyl)-4-methoxyphenyl]ethanol has a molecular weight of 265.23 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2,2,2-trifluoro-1-[2-(2-hydroxyethyl)-4-methoxyphenyl]ethanol is sourced from PubChem (CID 163835192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).