(2R)-2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-2-phenylethanol

C16H17Br2NO2 — CID 103766342

IUPAC(2R)-2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-2-phenylethanol
SMILESCOc1c(Br)cc(Br)cc1CN[C@@H](CO)c1ccccc1
InChIInChI=1S/C16H17Br2NO2/c1-21-16-12(7-13(17)8-14(16)18)9-19-15(10-20)11-5-3-2-4-6-11/h2-8,15,19-20H,9-10H2,1H3/t15-/m0/s1
InChIKeyWCEKMENKVFOZKA-HNNXBMFYSA-N
MW415.13 g/mol
LogP4.04
Rot. Bonds6

About (2R)-2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-2-phenylethanol

(2R)-2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-2-phenylethanol (PubChem CID 103766342) has the molecular formula C16H17Br2NO2 and a molecular weight of 415.13 g/mol. Its IUPAC name is (2R)-2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-2-phenylethanol
PubChem CID103766342
Molecular FormulaC16H17Br2NO2
Molecular Weight415.13 g/mol
Exact Mass412.96
IUPAC Name(2R)-2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-2-phenylethanol
SMILESCOc1c(Br)cc(Br)cc1CN[C@@H](CO)c1ccccc1
InChIInChI=1S/C16H17Br2NO2/c1-21-16-12(7-13(17)8-14(16)18)9-19-15(10-20)11-5-3-2-4-6-11/h2-8,15,19-20H,9-10H2,1H3/t15-/m0/s1
InChIKeyWCEKMENKVFOZKA-HNNXBMFYSA-N
XLogP4.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.13
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156221
3-[(3,5-dibromo-2-methoxyphenyl)methylamino]-2-methylbutan-1-ol
CID 115644565
2-phenyl-2-[(2,3,4-trimethoxyphenyl)methylamino]ethanol
CID 3744836
2-[(2-bromophenyl)methylamino]-2-phenylethanol
CID 6613037
2-[(3-bromo-4-methoxyphenyl)methylamino]-2-phenylethanol
CID 63182463
(1S)-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81352021
N-[(5-bromo-2-ethoxy-3-methoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156741
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60658981
(2R)-2-[(2-bromo-5-chlorophenyl)methylamino]-2-phenylethanol
CID 103766335
3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propane-1,2-diol
CID 66176532
4-[(3,5-dibromo-2-methoxyphenyl)methylamino]pentan-2-ol
CID 113376063
(2R)-2-[(4-bromo-2-chlorophenyl)methylamino]-2-phenylethanol
CID 103766322

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-2-phenylethanol?
The IUPAC name of (2R)-2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-2-phenylethanol (CID 103766342) is (2R)-2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-2-phenylethanol is COc1c(Br)cc(Br)cc1CN[C@@H](CO)c1ccccc1.
What is the InChIKey of (2R)-2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-2-phenylethanol?
The InChIKey is WCEKMENKVFOZKA-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17Br2NO2/c1-21-16-12(7-13(17)8-14(16)18)9-19-15(10-20)11-5-3-2-4-6-11/h2-8,15,19-20H,9-10H2,1H3/t15-/m0/s1.
What are the key properties of (2R)-2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-2-phenylethanol?
(2R)-2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-2-phenylethanol has a molecular weight of 415.13 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-2-phenylethanol is sourced from PubChem (CID 103766342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).