2-[[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]methyl]phenol

C16H16F3NO2 — CID 23647921

IUPAC2-[[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]methyl]phenol
SMILESOc1ccccc1CNCC(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H16F3NO2/c17-16(18,19)13-6-3-5-11(8-13)15(22)10-20-9-12-4-1-2-7-14(12)21/h1-8,15,20-22H,9-10H2
InChIKeySSTXMWYCLCWGFL-UHFFFAOYSA-N
MW311.30 g/mol
LogP3.23
Rot. Bonds5

About 2-[[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]methyl]phenol

2-[[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]methyl]phenol (PubChem CID 23647921) has the molecular formula C16H16F3NO2 and a molecular weight of 311.30 g/mol. Its IUPAC name is 2-[[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-[[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]methyl]phenol
PubChem CID23647921
Molecular FormulaC16H16F3NO2
Molecular Weight311.30 g/mol
Exact Mass311.11
IUPAC Name2-[[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]methyl]phenol
SMILESOc1ccccc1CNCC(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H16F3NO2/c17-16(18,19)13-6-3-5-11(8-13)15(22)10-20-9-12-4-1-2-7-14(12)21/h1-8,15,20-22H,9-10H2
InChIKeySSTXMWYCLCWGFL-UHFFFAOYSA-N
XLogP3.23
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]methyl]phenol?
The IUPAC name of 2-[[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]methyl]phenol (CID 23647921) is 2-[[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]methyl]phenol.
What is the SMILES notation for 2-[[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]methyl]phenol?
The canonical SMILES for 2-[[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]methyl]phenol is Oc1ccccc1CNCC(O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]methyl]phenol?
The InChIKey is SSTXMWYCLCWGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO2/c17-16(18,19)13-6-3-5-11(8-13)15(22)10-20-9-12-4-1-2-7-14(12)21/h1-8,15,20-22H,9-10H2.
What are the key properties of 2-[[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]methyl]phenol?
2-[[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]methyl]phenol has a molecular weight of 311.30 g/mol, XLogP of 3.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]methyl]phenol is sourced from PubChem (CID 23647921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).