5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenol

C16H16F3NO — CID 163857093

IUPAC5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenol
SMILESCc1ccc(NCCc2ccc(C(F)(F)F)cc2)c(O)c1
InChIInChI=1S/C16H16F3NO/c1-11-2-7-14(15(21)10-11)20-9-8-12-3-5-13(6-4-12)16(17,18)19/h2-7,10,20-21H,8-9H2,1H3
InChIKeyOZFMKSQVAIPENQ-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.37
Rot. Bonds4

About 5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenol

5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenol (PubChem CID 163857093) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenol.

Molecular Properties

Compound Name5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenol
PubChem CID163857093
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenol
SMILESCc1ccc(NCCc2ccc(C(F)(F)F)cc2)c(O)c1
InChIInChI=1S/C16H16F3NO/c1-11-2-7-14(15(21)10-11)20-9-8-12-3-5-13(6-4-12)16(17,18)19/h2-7,10,20-21H,8-9H2,1H3
InChIKeyOZFMKSQVAIPENQ-UHFFFAOYSA-N
XLogP4.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenol?
The IUPAC name of 5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenol (CID 163857093) is 5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenol.
What is the SMILES notation for 5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenol?
The canonical SMILES for 5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenol is Cc1ccc(NCCc2ccc(C(F)(F)F)cc2)c(O)c1.
What is the InChIKey of 5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenol?
The InChIKey is OZFMKSQVAIPENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-11-2-7-14(15(21)10-11)20-9-8-12-3-5-13(6-4-12)16(17,18)19/h2-7,10,20-21H,8-9H2,1H3.
What are the key properties of 5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenol?
5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenol has a molecular weight of 295.30 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenol is sourced from PubChem (CID 163857093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).