(1R)-2-[[5-bromo-2-[(3-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol

C23H24BrNO2 — CID 51993677

IUPAC(1R)-2-[[5-bromo-2-[(3-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol
SMILESCc1cccc(COc2ccc(Br)cc2CNC[C@H](O)c2ccccc2)c1
InChIInChI=1S/C23H24BrNO2/c1-17-6-5-7-18(12-17)16-27-23-11-10-21(24)13-20(23)14-25-15-22(26)19-8-3-2-4-9-19/h2-13,22,25-26H,14-16H2,1H3/t22-/m0/s1
InChIKeyVBBNZODBSRAXGG-QFIPXVFZSA-N
MW426.35 g/mol
LogP5.16
Rot. Bonds8

About (1R)-2-[[5-bromo-2-[(3-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol

(1R)-2-[[5-bromo-2-[(3-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol (PubChem CID 51993677) has the molecular formula C23H24BrNO2 and a molecular weight of 426.35 g/mol. Its IUPAC name is (1R)-2-[[5-bromo-2-[(3-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[[5-bromo-2-[(3-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol
PubChem CID51993677
Molecular FormulaC23H24BrNO2
Molecular Weight426.35 g/mol
Exact Mass425.10
IUPAC Name(1R)-2-[[5-bromo-2-[(3-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol
SMILESCc1cccc(COc2ccc(Br)cc2CNC[C@H](O)c2ccccc2)c1
InChIInChI=1S/C23H24BrNO2/c1-17-6-5-7-18(12-17)16-27-23-11-10-21(24)13-20(23)14-25-15-22(26)19-8-3-2-4-9-19/h2-13,22,25-26H,14-16H2,1H3/t22-/m0/s1
InChIKeyVBBNZODBSRAXGG-QFIPXVFZSA-N
XLogP5.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.35
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-1-phenylethanol
CID 27155496
2-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride
CID 17055248
(1R)-2-[(3-methylphenyl)methylamino]-1-phenylethanol
CID 51681134
2-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride
CID 17295139
(2S)-1-[[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51997120
(1R)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 29186359
(2S)-N-[[5-bromo-2-[(3-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
CID 51993671
1-phenyl-2-[(2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 17294540
2-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol
CID 66534458
2-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylpropan-1-ol;hydrochloride
CID 17055246
3-[[4-bromo-2-(ethylaminomethyl)phenoxy]methyl]benzonitrile
CID 60882737
2-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol
CID 66531949

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[5-bromo-2-[(3-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol?
The IUPAC name of (1R)-2-[[5-bromo-2-[(3-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol (CID 51993677) is (1R)-2-[[5-bromo-2-[(3-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[[5-bromo-2-[(3-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol?
The canonical SMILES for (1R)-2-[[5-bromo-2-[(3-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol is Cc1cccc(COc2ccc(Br)cc2CNC[C@H](O)c2ccccc2)c1.
What is the InChIKey of (1R)-2-[[5-bromo-2-[(3-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol?
The InChIKey is VBBNZODBSRAXGG-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H24BrNO2/c1-17-6-5-7-18(12-17)16-27-23-11-10-21(24)13-20(23)14-25-15-22(26)19-8-3-2-4-9-19/h2-13,22,25-26H,14-16H2,1H3/t22-/m0/s1.
What are the key properties of (1R)-2-[[5-bromo-2-[(3-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol?
(1R)-2-[[5-bromo-2-[(3-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol has a molecular weight of 426.35 g/mol, XLogP of 5.16, 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-[(3-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol is sourced from PubChem (CID 51993677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).