(1R)-2-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-1-phenylethanol

C22H22BrNO2 — CID 27155496

IUPAC(1R)-2-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-1-phenylethanol
SMILESO[C@@H](CNCc1cc(Br)ccc1OCc1ccccc1)c1ccccc1
InChIInChI=1S/C22H22BrNO2/c23-20-11-12-22(26-16-17-7-3-1-4-8-17)19(13-20)14-24-15-21(25)18-9-5-2-6-10-18/h1-13,21,24-25H,14-16H2/t21-/m0/s1
InChIKeyCNTNIJKAPDNBKV-NRFANRHFSA-N
MW412.33 g/mol
LogP4.85
Rot. Bonds8

About (1R)-2-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-1-phenylethanol

(1R)-2-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-1-phenylethanol (PubChem CID 27155496) has the molecular formula C22H22BrNO2 and a molecular weight of 412.33 g/mol. Its IUPAC name is (1R)-2-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-1-phenylethanol
PubChem CID27155496
Molecular FormulaC22H22BrNO2
Molecular Weight412.33 g/mol
Exact Mass411.08
IUPAC Name(1R)-2-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-1-phenylethanol
SMILESO[C@@H](CNCc1cc(Br)ccc1OCc1ccccc1)c1ccccc1
InChIInChI=1S/C22H22BrNO2/c23-20-11-12-22(26-16-17-7-3-1-4-8-17)19(13-20)14-24-15-21(25)18-9-5-2-6-10-18/h1-13,21,24-25H,14-16H2/t21-/m0/s1
InChIKeyCNTNIJKAPDNBKV-NRFANRHFSA-N
XLogP4.85
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.33
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride
CID 17055248
(1R)-2-[[5-bromo-2-[(3-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 51993677
1-phenyl-2-[(2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 17294540
2-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride
CID 17295139
2-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol
CID 66534458
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2-phenylethanamine
CID 4715742
(1R)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 29186359
2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol
CID 4720119
(5-bromo-2-phenylmethoxyphenyl)methylcarbamic acid
CID 68634173
(2S)-1-[[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51997120
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine
CID 17208055
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]hexan-1-amine
CID 4716809

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-1-phenylethanol?
The IUPAC name of (1R)-2-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-1-phenylethanol (CID 27155496) is (1R)-2-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-1-phenylethanol?
The canonical SMILES for (1R)-2-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-1-phenylethanol is O[C@@H](CNCc1cc(Br)ccc1OCc1ccccc1)c1ccccc1.
What is the InChIKey of (1R)-2-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-1-phenylethanol?
The InChIKey is CNTNIJKAPDNBKV-NRFANRHFSA-N. The full InChI is InChI=1S/C22H22BrNO2/c23-20-11-12-22(26-16-17-7-3-1-4-8-17)19(13-20)14-24-15-21(25)18-9-5-2-6-10-18/h1-13,21,24-25H,14-16H2/t21-/m0/s1.
What are the key properties of (1R)-2-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-1-phenylethanol?
(1R)-2-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-1-phenylethanol has a molecular weight of 412.33 g/mol, XLogP of 4.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-1-phenylethanol is sourced from PubChem (CID 27155496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).