2-amino-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]ethanol

C16H16F3NO2 — CID 19046995

IUPAC2-amino-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]ethanol
SMILESCc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1C(N)CO
InChIInChI=1S/C16H16F3NO2/c1-10-8-12(4-7-14(10)15(20)9-21)11-2-5-13(6-3-11)22-16(17,18)19/h2-8,15,21H,9,20H2,1H3
InChIKeyAEHDMFRTQFGSDN-UHFFFAOYSA-N
MW311.30 g/mol
LogP3.55
Rot. Bonds4

About 2-amino-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]ethanol

2-amino-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]ethanol (PubChem CID 19046995) has the molecular formula C16H16F3NO2 and a molecular weight of 311.30 g/mol. Its IUPAC name is 2-amino-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]ethanol.

Molecular Properties

Compound Name2-amino-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]ethanol
PubChem CID19046995
Molecular FormulaC16H16F3NO2
Molecular Weight311.30 g/mol
Exact Mass311.11
IUPAC Name2-amino-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]ethanol
SMILESCc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1C(N)CO
InChIInChI=1S/C16H16F3NO2/c1-10-8-12(4-7-14(10)15(20)9-21)11-2-5-13(6-3-11)22-16(17,18)19/h2-8,15,21H,9,20H2,1H3
InChIKeyAEHDMFRTQFGSDN-UHFFFAOYSA-N
XLogP3.55
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]ethanol?
The IUPAC name of 2-amino-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]ethanol (CID 19046995) is 2-amino-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]ethanol.
What is the SMILES notation for 2-amino-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]ethanol?
The canonical SMILES for 2-amino-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]ethanol is Cc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1C(N)CO.
What is the InChIKey of 2-amino-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]ethanol?
The InChIKey is AEHDMFRTQFGSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO2/c1-10-8-12(4-7-14(10)15(20)9-21)11-2-5-13(6-3-11)22-16(17,18)19/h2-8,15,21H,9,20H2,1H3.
What are the key properties of 2-amino-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]ethanol?
2-amino-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]ethanol has a molecular weight of 311.30 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]ethanol is sourced from PubChem (CID 19046995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).