(2R)-2-amino-2-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanol

C10H12F3NO3 — CID 66515505

IUPAC(2R)-2-amino-2-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanol
SMILESCOc1ccc(OC(F)(F)F)cc1[C@@H](N)CO
InChIInChI=1S/C10H12F3NO3/c1-16-9-3-2-6(17-10(11,12)13)4-7(9)8(14)5-15/h2-4,8,15H,5,14H2,1H3/t8-/m0/s1
InChIKeySQDWDGXQFQDNGN-QMMMGPOBSA-N
MW251.20 g/mol
LogP1.59
Rot. Bonds4

About (2R)-2-amino-2-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanol

(2R)-2-amino-2-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanol (PubChem CID 66515505) has the molecular formula C10H12F3NO3 and a molecular weight of 251.20 g/mol. Its IUPAC name is (2R)-2-amino-2-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanol
PubChem CID66515505
Molecular FormulaC10H12F3NO3
Molecular Weight251.20 g/mol
Exact Mass251.08
IUPAC Name(2R)-2-amino-2-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanol
SMILESCOc1ccc(OC(F)(F)F)cc1[C@@H](N)CO
InChIInChI=1S/C10H12F3NO3/c1-16-9-3-2-6(17-10(11,12)13)4-7(9)8(14)5-15/h2-4,8,15H,5,14H2,1H3/t8-/m0/s1
InChIKeySQDWDGXQFQDNGN-QMMMGPOBSA-N
XLogP1.59
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-2-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 171236237
(1S)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]pentane-1,5-diamine
CID 171228299
(1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171208716
1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-amine
CID 139965810
(2S,3S)-3-amino-1,1,1-trifluoro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]propan-2-ol
CID 171269353
(2R)-2-amino-2-(5-tert-butyl-2-methoxyphenyl)ethanol
CID 66514274
(2S)-2-amino-2-[5-bromo-2-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 171208056
3-[(1R)-1-amino-2-hydroxyethyl]-4-methoxyphenol
CID 55292444
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)ethanol
CID 66515416
(S)-cyclobutyl-[2-methoxy-5-(trifluoromethoxy)phenyl]methanamine
CID 171228325
2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-4-(trifluoromethoxy)phenol
CID 66516297

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanol?
The IUPAC name of (2R)-2-amino-2-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanol (CID 66515505) is (2R)-2-amino-2-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanol.
What is the SMILES notation for (2R)-2-amino-2-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanol?
The canonical SMILES for (2R)-2-amino-2-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanol is COc1ccc(OC(F)(F)F)cc1[C@@H](N)CO.
What is the InChIKey of (2R)-2-amino-2-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanol?
The InChIKey is SQDWDGXQFQDNGN-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12F3NO3/c1-16-9-3-2-6(17-10(11,12)13)4-7(9)8(14)5-15/h2-4,8,15H,5,14H2,1H3/t8-/m0/s1.
What are the key properties of (2R)-2-amino-2-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanol?
(2R)-2-amino-2-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanol has a molecular weight of 251.20 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 66515505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).