(2S)-2-phenyl-2-[1-(2,3,4-trichlorophenyl)ethylamino]ethanol

C16H16Cl3NO — CID 103783992

IUPAC(2S)-2-phenyl-2-[1-(2,3,4-trichlorophenyl)ethylamino]ethanol
SMILESCC(N[C@H](CO)c1ccccc1)c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C16H16Cl3NO/c1-10(12-7-8-13(17)16(19)15(12)18)20-14(9-21)11-5-3-2-4-6-11/h2-8,10,14,20-21H,9H2,1H3/t10?,14-/m1/s1
InChIKeyGUVTZTSYXDYLJF-LNUXAPHWSA-N
MW344.67 g/mol
LogP5.03
Rot. Bonds5

About (2S)-2-phenyl-2-[1-(2,3,4-trichlorophenyl)ethylamino]ethanol

(2S)-2-phenyl-2-[1-(2,3,4-trichlorophenyl)ethylamino]ethanol (PubChem CID 103783992) has the molecular formula C16H16Cl3NO and a molecular weight of 344.67 g/mol. Its IUPAC name is (2S)-2-phenyl-2-[1-(2,3,4-trichlorophenyl)ethylamino]ethanol.

Molecular Properties

Compound Name(2S)-2-phenyl-2-[1-(2,3,4-trichlorophenyl)ethylamino]ethanol
PubChem CID103783992
Molecular FormulaC16H16Cl3NO
Molecular Weight344.67 g/mol
Exact Mass343.03
IUPAC Name(2S)-2-phenyl-2-[1-(2,3,4-trichlorophenyl)ethylamino]ethanol
SMILESCC(N[C@H](CO)c1ccccc1)c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C16H16Cl3NO/c1-10(12-7-8-13(17)16(19)15(12)18)20-14(9-21)11-5-3-2-4-6-11/h2-8,10,14,20-21H,9H2,1H3/t10?,14-/m1/s1
InChIKeyGUVTZTSYXDYLJF-LNUXAPHWSA-N
XLogP5.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.67
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-phenyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]ethanol
CID 103788833
2-[1-[[(1S)-2-hydroxy-1-phenylethyl]amino]ethyl]-5-methylphenol
CID 104582502
(3R)-3-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 111755726
5-fluoro-2-[1-[(2-hydroxy-1-phenylethyl)amino]ethyl]phenol
CID 63182312
N-[(1S)-1-(2-methylphenyl)ethyl]-1-(2,3,4-trichlorophenyl)ethanamine
CID 81363776
(2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-phenylethanol
CID 107093791
N-[1-(2,3,4-trichlorophenyl)ethyl]pentan-3-amine
CID 43756565
2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol
CID 55158261
(2S)-2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol
CID 103729730
2-[1-(4-fluorophenyl)ethylamino]-2-phenylethanol
CID 55158651
5-[1-[(2-hydroxy-1-phenylethyl)amino]ethyl]benzene-1,3-diol
CID 107706519
N-[(1R)-1-(3-methylphenyl)ethyl]-1-(2,3,4-trichlorophenyl)ethanamine
CID 81369437

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-[1-(2,3,4-trichlorophenyl)ethylamino]ethanol?
The IUPAC name of (2S)-2-phenyl-2-[1-(2,3,4-trichlorophenyl)ethylamino]ethanol (CID 103783992) is (2S)-2-phenyl-2-[1-(2,3,4-trichlorophenyl)ethylamino]ethanol.
What is the SMILES notation for (2S)-2-phenyl-2-[1-(2,3,4-trichlorophenyl)ethylamino]ethanol?
The canonical SMILES for (2S)-2-phenyl-2-[1-(2,3,4-trichlorophenyl)ethylamino]ethanol is CC(N[C@H](CO)c1ccccc1)c1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of (2S)-2-phenyl-2-[1-(2,3,4-trichlorophenyl)ethylamino]ethanol?
The InChIKey is GUVTZTSYXDYLJF-LNUXAPHWSA-N. The full InChI is InChI=1S/C16H16Cl3NO/c1-10(12-7-8-13(17)16(19)15(12)18)20-14(9-21)11-5-3-2-4-6-11/h2-8,10,14,20-21H,9H2,1H3/t10?,14-/m1/s1.
What are the key properties of (2S)-2-phenyl-2-[1-(2,3,4-trichlorophenyl)ethylamino]ethanol?
(2S)-2-phenyl-2-[1-(2,3,4-trichlorophenyl)ethylamino]ethanol has a molecular weight of 344.67 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-[1-(2,3,4-trichlorophenyl)ethylamino]ethanol is sourced from PubChem (CID 103783992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).