(2S)-2-[1-(4-ethoxyphenyl)ethylamino]-2-phenylethanol

C18H23NO2 — CID 103784132

IUPAC(2S)-2-[1-(4-ethoxyphenyl)ethylamino]-2-phenylethanol
SMILESCCOc1ccc(C(C)N[C@H](CO)c2ccccc2)cc1
InChIInChI=1S/C18H23NO2/c1-3-21-17-11-9-15(10-12-17)14(2)19-18(13-20)16-7-5-4-6-8-16/h4-12,14,18-20H,3,13H2,1-2H3/t14?,18-/m1/s1
InChIKeyOVSFRKVOTCAXBQ-XPKAQORNSA-N
MW285.39 g/mol
LogP3.47
Rot. Bonds7

About (2S)-2-[1-(4-ethoxyphenyl)ethylamino]-2-phenylethanol

(2S)-2-[1-(4-ethoxyphenyl)ethylamino]-2-phenylethanol (PubChem CID 103784132) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (2S)-2-[1-(4-ethoxyphenyl)ethylamino]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[1-(4-ethoxyphenyl)ethylamino]-2-phenylethanol
PubChem CID103784132
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(2S)-2-[1-(4-ethoxyphenyl)ethylamino]-2-phenylethanol
SMILESCCOc1ccc(C(C)N[C@H](CO)c2ccccc2)cc1
InChIInChI=1S/C18H23NO2/c1-3-21-17-11-9-15(10-12-17)14(2)19-18(13-20)16-7-5-4-6-8-16/h4-12,14,18-20H,3,13H2,1-2H3/t14?,18-/m1/s1
InChIKeyOVSFRKVOTCAXBQ-XPKAQORNSA-N
XLogP3.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[1-(4-methoxyphenyl)ethylamino]-2-phenylethanol
CID 103784104
(2S)-2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol
CID 103729730
2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol
CID 55158261
2-[1-(4-fluorophenyl)ethylamino]-2-phenylethanol
CID 55158651
5-[1-[(2-hydroxy-1-phenylethyl)amino]ethyl]benzene-1,3-diol
CID 107706519
(2S)-2-phenyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanol
CID 111521938
1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
CID 78956018
(2S)-2-[1-(4-nitrophenyl)ethylamino]-2-phenylethanol
CID 103784100
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)ethanamine
CID 81356975
(1S)-N-[(4-ethoxyphenyl)methyl]-1-phenylethanamine
CID 927372
N-[2-(4-ethoxyphenoxy)ethyl]-1-phenylethanamine
CID 112798597
1-ethoxy-4-(2-methyl-1-phenylpropyl)benzene
CID 58493580

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(4-ethoxyphenyl)ethylamino]-2-phenylethanol?
The IUPAC name of (2S)-2-[1-(4-ethoxyphenyl)ethylamino]-2-phenylethanol (CID 103784132) is (2S)-2-[1-(4-ethoxyphenyl)ethylamino]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[1-(4-ethoxyphenyl)ethylamino]-2-phenylethanol?
The canonical SMILES for (2S)-2-[1-(4-ethoxyphenyl)ethylamino]-2-phenylethanol is CCOc1ccc(C(C)N[C@H](CO)c2ccccc2)cc1.
What is the InChIKey of (2S)-2-[1-(4-ethoxyphenyl)ethylamino]-2-phenylethanol?
The InChIKey is OVSFRKVOTCAXBQ-XPKAQORNSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-21-17-11-9-15(10-12-17)14(2)19-18(13-20)16-7-5-4-6-8-16/h4-12,14,18-20H,3,13H2,1-2H3/t14?,18-/m1/s1.
What are the key properties of (2S)-2-[1-(4-ethoxyphenyl)ethylamino]-2-phenylethanol?
(2S)-2-[1-(4-ethoxyphenyl)ethylamino]-2-phenylethanol has a molecular weight of 285.39 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(4-ethoxyphenyl)ethylamino]-2-phenylethanol is sourced from PubChem (CID 103784132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).