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

C16H18BrNO — CID 103729730

IUPAC(2S)-2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol
SMILESCC(N[C@H](CO)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C16H18BrNO/c1-12(13-7-9-15(17)10-8-13)18-16(11-19)14-5-3-2-4-6-14/h2-10,12,16,18-19H,11H2,1H3/t12?,16-/m1/s1
InChIKeyMZTFGEPQCFQDRO-PVQCJRHBSA-N
MW320.23 g/mol
LogP3.83
Rot. Bonds5

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

(2S)-2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol (PubChem CID 103729730) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is (2S)-2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol
PubChem CID103729730
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name(2S)-2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol
SMILESCC(N[C@H](CO)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C16H18BrNO/c1-12(13-7-9-15(17)10-8-13)18-16(11-19)14-5-3-2-4-6-14/h2-10,12,16,18-19H,11H2,1H3/t12?,16-/m1/s1
InChIKeyMZTFGEPQCFQDRO-PVQCJRHBSA-N
XLogP3.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol
CID 55158261
1-(4-bromophenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 81350988
1-(4-bromophenyl)-N-[(1S)-1-phenylethyl]propan-1-amine
CID 81350927
(2S)-2-[1-(4-bromophenyl)propylamino]-2-phenylethanol
CID 103784133
2-[1-(4-fluorophenyl)ethylamino]-2-phenylethanol
CID 55158651
N-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylbutan-1-amine
CID 81359932
(2S)-2-[1-(4-methoxyphenyl)ethylamino]-2-phenylethanol
CID 103784104
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
(2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-2-phenylethanol
CID 103522284
(2S)-2-[1-(4-ethoxyphenyl)ethylamino]-2-phenylethanol
CID 103784132
(2S)-2-[1-(4-nitrophenyl)ethylamino]-2-phenylethanol
CID 103784100

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol?
The IUPAC name of (2S)-2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol (CID 103729730) is (2S)-2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol?
The canonical SMILES for (2S)-2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol is CC(N[C@H](CO)c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of (2S)-2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol?
The InChIKey is MZTFGEPQCFQDRO-PVQCJRHBSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-12(13-7-9-15(17)10-8-13)18-16(11-19)14-5-3-2-4-6-14/h2-10,12,16,18-19H,11H2,1H3/t12?,16-/m1/s1.
What are the key properties of (2S)-2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol?
(2S)-2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol has a molecular weight of 320.23 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol is sourced from PubChem (CID 103729730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).