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

C17H20BrNO2 — CID 103788667

IUPAC(2R)-2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-phenylethanol
SMILESCOc1ccc(C(C)N[C@@H](CO)c2ccccc2)cc1Br
InChIInChI=1S/C17H20BrNO2/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
InChIKeyXWMVOUORZJOOSX-INSVYWFGSA-N
MW350.26 g/mol
LogP3.84
Rot. Bonds6

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

(2R)-2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-phenylethanol (PubChem CID 103788667) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is (2R)-2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-phenylethanol
PubChem CID103788667
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name(2R)-2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-phenylethanol
SMILESCOc1ccc(C(C)N[C@@H](CO)c2ccccc2)cc1Br
InChIInChI=1S/C17H20BrNO2/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
InChIKeyXWMVOUORZJOOSX-INSVYWFGSA-N
XLogP3.84
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-phenylethanol
CID 103788710
(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
3-bromo-N-(2-hydroxy-1-phenylethyl)-4-methoxybenzamide
CID 63182178
2-[(3-bromo-4-methoxyphenyl)methylamino]-2-phenylethanol
CID 63182463
(2S)-2-[1-(2-methoxy-5-methylphenyl)ethylamino]-2-phenylethanol
CID 103784044
4-benzhydryl-2-bromo-1-methoxybenzene
CID 12672614
(3R)-3-acetamido-N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 8963040
N-[1-(3-bromo-4-methoxyphenyl)ethyl]aniline
CID 43756086
(1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-(4-bromophenyl)ethanamine
CID 81355700
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-bromo-4-methoxyphenyl)ethylamino]-2-phenylethanol?
The IUPAC name of (2R)-2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-phenylethanol (CID 103788667) is (2R)-2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-phenylethanol is COc1ccc(C(C)N[C@@H](CO)c2ccccc2)cc1Br.
What is the InChIKey of (2R)-2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-phenylethanol?
The InChIKey is XWMVOUORZJOOSX-INSVYWFGSA-N. The full InChI is InChI=1S/C17H20BrNO2/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-bromo-4-methoxyphenyl)ethylamino]-2-phenylethanol?
(2R)-2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-phenylethanol has a molecular weight of 350.26 g/mol, XLogP of 3.84, 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-bromo-4-methoxyphenyl)ethylamino]-2-phenylethanol is sourced from PubChem (CID 103788667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).