2-[(2-methylphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol

C17H18F3NO — CID 23647918

IUPAC2-[(2-methylphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESCc1ccccc1CNCC(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H18F3NO/c1-12-5-2-3-6-14(12)10-21-11-16(22)13-7-4-8-15(9-13)17(18,19)20/h2-9,16,21-22H,10-11H2,1H3
InChIKeyQSXLBISEYIUNMB-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.84
Rot. Bonds5

About 2-[(2-methylphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol

2-[(2-methylphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 23647918) has the molecular formula C17H18F3NO and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[(2-methylphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID23647918
Molecular FormulaC17H18F3NO
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC Name2-[(2-methylphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESCc1ccccc1CNCC(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H18F3NO/c1-12-5-2-3-6-14(12)10-21-11-16(22)13-7-4-8-15(9-13)17(18,19)20/h2-9,16,21-22H,10-11H2,1H3
InChIKeyQSXLBISEYIUNMB-UHFFFAOYSA-N
XLogP3.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-[(2-methylphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol (CID 23647918) is 2-[(2-methylphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-[(2-methylphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-[(2-methylphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol is Cc1ccccc1CNCC(O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[(2-methylphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is QSXLBISEYIUNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO/c1-12-5-2-3-6-14(12)10-21-11-16(22)13-7-4-8-15(9-13)17(18,19)20/h2-9,16,21-22H,10-11H2,1H3.
What are the key properties of 2-[(2-methylphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol?
2-[(2-methylphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 309.33 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 23647918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).