(2S)-2-[1-(2-methoxy-5-methylphenyl)ethylamino]-2-phenylethanol

C18H23NO2 — CID 103784044

IUPAC(2S)-2-[1-(2-methoxy-5-methylphenyl)ethylamino]-2-phenylethanol
SMILESCOc1ccc(C)cc1C(C)N[C@H](CO)c1ccccc1
InChIInChI=1S/C18H23NO2/c1-13-9-10-18(21-3)16(11-13)14(2)19-17(12-20)15-7-5-4-6-8-15/h4-11,14,17,19-20H,12H2,1-3H3/t14?,17-/m1/s1
InChIKeyVDKBEDXGGBHWSA-FBMWCMRBSA-N
MW285.39 g/mol
LogP3.39
Rot. Bonds6

About (2S)-2-[1-(2-methoxy-5-methylphenyl)ethylamino]-2-phenylethanol

(2S)-2-[1-(2-methoxy-5-methylphenyl)ethylamino]-2-phenylethanol (PubChem CID 103784044) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (2S)-2-[1-(2-methoxy-5-methylphenyl)ethylamino]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[1-(2-methoxy-5-methylphenyl)ethylamino]-2-phenylethanol
PubChem CID103784044
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(2S)-2-[1-(2-methoxy-5-methylphenyl)ethylamino]-2-phenylethanol
SMILESCOc1ccc(C)cc1C(C)N[C@H](CO)c1ccccc1
InChIInChI=1S/C18H23NO2/c1-13-9-10-18(21-3)16(11-13)14(2)19-17(12-20)15-7-5-4-6-8-15/h4-11,14,17,19-20H,12H2,1-3H3/t14?,17-/m1/s1
InChIKeyVDKBEDXGGBHWSA-FBMWCMRBSA-N
XLogP3.39
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[(1S)-2-hydroxy-1-phenylethyl]amino]ethyl]-5-methylphenol
CID 104582502
(2R)-2-phenyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]ethanol
CID 103788833
(2R)-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-phenylethanol
CID 103788710
(2R)-2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-phenylethanol
CID 103788667
(2R)-2-[1-(2-methoxyphenyl)propylamino]-2-phenylethanol
CID 103788814
(1S)-1-(2-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
CID 81374122
N-benzyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43177527
(1S)-1-(3-fluorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
CID 81352935
(1R)-1-(3-bromophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
CID 81371308
(2S)-2-[1-(4-methoxyphenyl)ethylamino]-2-phenylethanol
CID 103784104
(2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-phenylethanol
CID 107093791
1-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895772

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(2-methoxy-5-methylphenyl)ethylamino]-2-phenylethanol?
The IUPAC name of (2S)-2-[1-(2-methoxy-5-methylphenyl)ethylamino]-2-phenylethanol (CID 103784044) is (2S)-2-[1-(2-methoxy-5-methylphenyl)ethylamino]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[1-(2-methoxy-5-methylphenyl)ethylamino]-2-phenylethanol?
The canonical SMILES for (2S)-2-[1-(2-methoxy-5-methylphenyl)ethylamino]-2-phenylethanol is COc1ccc(C)cc1C(C)N[C@H](CO)c1ccccc1.
What is the InChIKey of (2S)-2-[1-(2-methoxy-5-methylphenyl)ethylamino]-2-phenylethanol?
The InChIKey is VDKBEDXGGBHWSA-FBMWCMRBSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13-9-10-18(21-3)16(11-13)14(2)19-17(12-20)15-7-5-4-6-8-15/h4-11,14,17,19-20H,12H2,1-3H3/t14?,17-/m1/s1.
What are the key properties of (2S)-2-[1-(2-methoxy-5-methylphenyl)ethylamino]-2-phenylethanol?
(2S)-2-[1-(2-methoxy-5-methylphenyl)ethylamino]-2-phenylethanol has a molecular weight of 285.39 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(2-methoxy-5-methylphenyl)ethylamino]-2-phenylethanol is sourced from PubChem (CID 103784044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).