(2R)-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-phenylethanol

C17H20FNO2 — CID 103788710

IUPAC(2R)-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-phenylethanol
SMILESCOc1ccc(C(C)N[C@@H](CO)c2ccccc2)cc1F
InChIInChI=1S/C17H20FNO2/c1-12(14-8-9-17(21-2)15(18)10-14)19-16(11-20)13-6-4-3-5-7-13/h3-10,12,16,19-20H,11H2,1-2H3/t12?,16-/m0/s1
InChIKeyCVWGQKNUGXBLNQ-INSVYWFGSA-N
MW289.35 g/mol
LogP3.22
Rot. Bonds6

About (2R)-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-phenylethanol

(2R)-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-phenylethanol (PubChem CID 103788710) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is (2R)-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-phenylethanol
PubChem CID103788710
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name(2R)-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-phenylethanol
SMILESCOc1ccc(C(C)N[C@@H](CO)c2ccccc2)cc1F
InChIInChI=1S/C17H20FNO2/c1-12(14-8-9-17(21-2)15(18)10-14)19-16(11-20)13-6-4-3-5-7-13/h3-10,12,16,19-20H,11H2,1-2H3/t12?,16-/m0/s1
InChIKeyCVWGQKNUGXBLNQ-INSVYWFGSA-N
XLogP3.22
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylpropan-1-amine
CID 43724000
(1S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylethanamine
CID 81350523
(2R)-2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-phenylethanol
CID 103788667
(2S)-2-[1-(3-fluoro-4-methylphenyl)ethylamino]-2-phenylethanol
CID 103784026
(2S)-2-[1-(4-methoxyphenyl)ethylamino]-2-phenylethanol
CID 103784104
2-[1-(4-fluorophenyl)ethylamino]-2-phenylethanol
CID 55158651
(2S)-2-[1-(2-methoxy-5-methylphenyl)ethylamino]-2-phenylethanol
CID 103784044
3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-methylsulfanylbutan-1-ol
CID 103785121
2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol
CID 29039036
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43190042
(1R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81350630
5-[1-[(2-hydroxy-1-phenylethyl)amino]ethyl]benzene-1,3-diol
CID 107706519

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-phenylethanol?
The IUPAC name of (2R)-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-phenylethanol (CID 103788710) is (2R)-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-phenylethanol is COc1ccc(C(C)N[C@@H](CO)c2ccccc2)cc1F.
What is the InChIKey of (2R)-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-phenylethanol?
The InChIKey is CVWGQKNUGXBLNQ-INSVYWFGSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-12(14-8-9-17(21-2)15(18)10-14)19-16(11-20)13-6-4-3-5-7-13/h3-10,12,16,19-20H,11H2,1-2H3/t12?,16-/m0/s1.
What are the key properties of (2R)-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-phenylethanol?
(2R)-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-phenylethanol has a molecular weight of 289.35 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-phenylethanol is sourced from PubChem (CID 103788710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).