2-amino-2-phenyl-1-[4-(trifluoromethoxy)phenyl]ethanol

C15H14F3NO2 — CID 62718138

IUPAC2-amino-2-phenyl-1-[4-(trifluoromethoxy)phenyl]ethanol
SMILESNC(c1ccccc1)C(O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H14F3NO2/c16-15(17,18)21-12-8-6-11(7-9-12)14(20)13(19)10-4-2-1-3-5-10/h1-9,13-14,20H,19H2
InChIKeyBGIHGMPFIVKXHG-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.32
Rot. Bonds4

About 2-amino-2-phenyl-1-[4-(trifluoromethoxy)phenyl]ethanol

2-amino-2-phenyl-1-[4-(trifluoromethoxy)phenyl]ethanol (PubChem CID 62718138) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-amino-2-phenyl-1-[4-(trifluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-2-phenyl-1-[4-(trifluoromethoxy)phenyl]ethanol
PubChem CID62718138
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name2-amino-2-phenyl-1-[4-(trifluoromethoxy)phenyl]ethanol
SMILESNC(c1ccccc1)C(O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H14F3NO2/c16-15(17,18)21-12-8-6-11(7-9-12)14(20)13(19)10-4-2-1-3-5-10/h1-9,13-14,20H,19H2
InChIKeyBGIHGMPFIVKXHG-UHFFFAOYSA-N
XLogP3.32
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-phenyl-[4-(trifluoromethoxy)phenyl]methanol
CID 95251088
(1S,2R)-2-amino-1,2-diphenylethanol
CID 719822
(1R,2R)-2-amino-1,2-diphenylethanol;hydrochloride
CID 145453159
trifluoromethoxybenzene fluoride
CID 158305019
propan-2-ol;trifluoromethoxybenzene
CID 161029707
trifluoromethoxybenzene
CID 157402708
(1S,2S)-2-amino-1,2-bis(4-methoxyphenyl)ethanol
CID 90478708
(1R,2S)-2-amino-1,2-bis(4-methoxyphenyl)ethanol
CID 10707410
(1S)-2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 66511880
2-amino-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 43209057
N'-methyl-1,2-bis[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 166838574
(1S,2R)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol
CID 46892159

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-1-[4-(trifluoromethoxy)phenyl]ethanol?
The IUPAC name of 2-amino-2-phenyl-1-[4-(trifluoromethoxy)phenyl]ethanol (CID 62718138) is 2-amino-2-phenyl-1-[4-(trifluoromethoxy)phenyl]ethanol.
What is the SMILES notation for 2-amino-2-phenyl-1-[4-(trifluoromethoxy)phenyl]ethanol?
The canonical SMILES for 2-amino-2-phenyl-1-[4-(trifluoromethoxy)phenyl]ethanol is NC(c1ccccc1)C(O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-amino-2-phenyl-1-[4-(trifluoromethoxy)phenyl]ethanol?
The InChIKey is BGIHGMPFIVKXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c16-15(17,18)21-12-8-6-11(7-9-12)14(20)13(19)10-4-2-1-3-5-10/h1-9,13-14,20H,19H2.
What are the key properties of 2-amino-2-phenyl-1-[4-(trifluoromethoxy)phenyl]ethanol?
2-amino-2-phenyl-1-[4-(trifluoromethoxy)phenyl]ethanol has a molecular weight of 297.28 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-1-[4-(trifluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 62718138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).