(2R)-2-[(4-bromo-2-chlorophenyl)methylamino]-2-phenylethanol

C15H15BrClNO — CID 103766322

IUPAC(2R)-2-[(4-bromo-2-chlorophenyl)methylamino]-2-phenylethanol
SMILESOC[C@H](NCc1ccc(Br)cc1Cl)c1ccccc1
InChIInChI=1S/C15H15BrClNO/c16-13-7-6-12(14(17)8-13)9-18-15(10-19)11-4-2-1-3-5-11/h1-8,15,18-19H,9-10H2/t15-/m0/s1
InChIKeyRZOWZIDVIQNPBD-HNNXBMFYSA-N
MW340.65 g/mol
LogP3.93
Rot. Bonds5

About (2R)-2-[(4-bromo-2-chlorophenyl)methylamino]-2-phenylethanol

(2R)-2-[(4-bromo-2-chlorophenyl)methylamino]-2-phenylethanol (PubChem CID 103766322) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is (2R)-2-[(4-bromo-2-chlorophenyl)methylamino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[(4-bromo-2-chlorophenyl)methylamino]-2-phenylethanol
PubChem CID103766322
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC Name(2R)-2-[(4-bromo-2-chlorophenyl)methylamino]-2-phenylethanol
SMILESOC[C@H](NCc1ccc(Br)cc1Cl)c1ccccc1
InChIInChI=1S/C15H15BrClNO/c16-13-7-6-12(14(17)8-13)9-18-15(10-19)11-4-2-1-3-5-11/h1-8,15,18-19H,9-10H2/t15-/m0/s1
InChIKeyRZOWZIDVIQNPBD-HNNXBMFYSA-N
XLogP3.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(4-bromo-2-nitrophenyl)methylamino]-2-phenylethanol
CID 107862644
2-[(4-bromo-2-nitrophenyl)methylamino]-2-phenylethanol
CID 114381299
(2R)-2-[(2-bromo-5-chlorophenyl)methylamino]-2-phenylethanol
CID 103766335
(2S)-2-[(5-bromo-2-nitrophenyl)methylamino]-2-phenylethanol
CID 103922975
2-[(2-bromophenyl)methylamino]-2-phenylethanol
CID 6613037
2-[(4-chloro-2-fluorophenyl)methylamino]-2-phenylethanol
CID 114750493
3-bromo-4-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]benzoic acid
CID 122437638
(2R)-2-[(2,3-dichlorophenyl)methylamino]-2-phenylethanol
CID 95026876
(2S)-2-[(4-bromo-2-chlorophenyl)methylamino]-3-methylbutan-1-ol
CID 114986509
2-[(2,6-dichlorophenyl)methylamino]-2-phenylethanol
CID 63182715
(1S)-N-[(4-bromo-2-chlorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 104862306
5-bromo-2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103772690

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-bromo-2-chlorophenyl)methylamino]-2-phenylethanol?
The IUPAC name of (2R)-2-[(4-bromo-2-chlorophenyl)methylamino]-2-phenylethanol (CID 103766322) is (2R)-2-[(4-bromo-2-chlorophenyl)methylamino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[(4-bromo-2-chlorophenyl)methylamino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[(4-bromo-2-chlorophenyl)methylamino]-2-phenylethanol is OC[C@H](NCc1ccc(Br)cc1Cl)c1ccccc1.
What is the InChIKey of (2R)-2-[(4-bromo-2-chlorophenyl)methylamino]-2-phenylethanol?
The InChIKey is RZOWZIDVIQNPBD-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H15BrClNO/c16-13-7-6-12(14(17)8-13)9-18-15(10-19)11-4-2-1-3-5-11/h1-8,15,18-19H,9-10H2/t15-/m0/s1.
What are the key properties of (2R)-2-[(4-bromo-2-chlorophenyl)methylamino]-2-phenylethanol?
(2R)-2-[(4-bromo-2-chlorophenyl)methylamino]-2-phenylethanol has a molecular weight of 340.65 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-bromo-2-chlorophenyl)methylamino]-2-phenylethanol is sourced from PubChem (CID 103766322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).