(2S)-2-amino-2-[2-(3,4-difluorophenoxy)phenyl]ethanol

C14H13F2NO2 — CID 66515923

IUPAC(2S)-2-amino-2-[2-(3,4-difluorophenoxy)phenyl]ethanol
SMILESN[C@H](CO)c1ccccc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C14H13F2NO2/c15-11-6-5-9(7-12(11)16)19-14-4-2-1-3-10(14)13(17)8-18/h1-7,13,18H,8,17H2/t13-/m1/s1
InChIKeyILTSQXGSSXDTOE-CYBMUJFWSA-N
MW265.26 g/mol
LogP2.75
Rot. Bonds4

About (2S)-2-amino-2-[2-(3,4-difluorophenoxy)phenyl]ethanol

(2S)-2-amino-2-[2-(3,4-difluorophenoxy)phenyl]ethanol (PubChem CID 66515923) has the molecular formula C14H13F2NO2 and a molecular weight of 265.26 g/mol. Its IUPAC name is (2S)-2-amino-2-[2-(3,4-difluorophenoxy)phenyl]ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-[2-(3,4-difluorophenoxy)phenyl]ethanol
PubChem CID66515923
Molecular FormulaC14H13F2NO2
Molecular Weight265.26 g/mol
Exact Mass265.09
IUPAC Name(2S)-2-amino-2-[2-(3,4-difluorophenoxy)phenyl]ethanol
SMILESN[C@H](CO)c1ccccc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C14H13F2NO2/c15-11-6-5-9(7-12(11)16)19-14-4-2-1-3-10(14)13(17)8-18/h1-7,13,18H,8,17H2/t13-/m1/s1
InChIKeyILTSQXGSSXDTOE-CYBMUJFWSA-N
XLogP2.75
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-(3-bromo-4-fluorophenoxy)phenyl]propan-1-amine
CID 103959458
1-[2-(3-chloro-4-fluorophenoxy)phenyl]propan-1-amine
CID 112678483
2-amino-2-(2-methoxyphenyl)ethanol
CID 10352062
2-amino-2-[2-(trifluoromethoxy)phenyl]ethanol
CID 61054424
(1S)-1-[2-(3-fluoro-4-methylphenoxy)phenyl]ethanamine
CID 107169557
3-[2-(3,4-difluorophenoxy)phenyl]propan-1-ol
CID 53434345
2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 55272766
3-[2-(3,4-difluorophenoxy)phenyl]propan-1-amine
CID 53434344
(2R)-2-amino-2-(2-fluoro-5-methoxyphenyl)ethanol;hydrochloride
CID 171229266
ethyl 2-(3,4-difluorophenoxy)benzoate
CID 175272248
1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine
CID 112678409
(1S)-1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine
CID 103959252

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[2-(3,4-difluorophenoxy)phenyl]ethanol?
The IUPAC name of (2S)-2-amino-2-[2-(3,4-difluorophenoxy)phenyl]ethanol (CID 66515923) is (2S)-2-amino-2-[2-(3,4-difluorophenoxy)phenyl]ethanol.
What is the SMILES notation for (2S)-2-amino-2-[2-(3,4-difluorophenoxy)phenyl]ethanol?
The canonical SMILES for (2S)-2-amino-2-[2-(3,4-difluorophenoxy)phenyl]ethanol is N[C@H](CO)c1ccccc1Oc1ccc(F)c(F)c1.
What is the InChIKey of (2S)-2-amino-2-[2-(3,4-difluorophenoxy)phenyl]ethanol?
The InChIKey is ILTSQXGSSXDTOE-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H13F2NO2/c15-11-6-5-9(7-12(11)16)19-14-4-2-1-3-10(14)13(17)8-18/h1-7,13,18H,8,17H2/t13-/m1/s1.
What are the key properties of (2S)-2-amino-2-[2-(3,4-difluorophenoxy)phenyl]ethanol?
(2S)-2-amino-2-[2-(3,4-difluorophenoxy)phenyl]ethanol has a molecular weight of 265.26 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[2-(3,4-difluorophenoxy)phenyl]ethanol is sourced from PubChem (CID 66515923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).