2-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride

C23H25BrClNO2 — CID 17055248

IUPAC2-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride
SMILESCc1ccc(COc2ccc(Br)cc2CNCC(O)c2ccccc2)cc1.Cl
InChIInChI=1S/C23H24BrNO2.ClH/c1-17-7-9-18(10-8-17)16-27-23-12-11-21(24)13-20(23)14-25-15-22(26)19-5-3-2-4-6-19;/h2-13,22,25-26H,14-16H2,1H3;1H
InChIKeyODNVEFOPMHEDQD-UHFFFAOYSA-N
MW462.82 g/mol
LogP5.58
Rot. Bonds8

About 2-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride

2-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride (PubChem CID 17055248) has the molecular formula C23H25BrClNO2 and a molecular weight of 462.82 g/mol. Its IUPAC name is 2-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride.

Molecular Properties

Compound Name2-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride
PubChem CID17055248
Molecular FormulaC23H25BrClNO2
Molecular Weight462.82 g/mol
Exact Mass461.08
IUPAC Name2-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride
SMILESCc1ccc(COc2ccc(Br)cc2CNCC(O)c2ccccc2)cc1.Cl
InChIInChI=1S/C23H24BrNO2.ClH/c1-17-7-9-18(10-8-17)16-27-23-12-11-21(24)13-20(23)14-25-15-22(26)19-5-3-2-4-6-19;/h2-13,22,25-26H,14-16H2,1H3;1H
InChIKeyODNVEFOPMHEDQD-UHFFFAOYSA-N
XLogP5.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.82
LogP ≤ 55.58
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
(1R)-2-[[5-bromo-2-[(3-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 51993677
(1R)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 29186359
2-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylpropan-1-ol;hydrochloride
CID 17055246
2-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride
CID 17295139
1-phenyl-2-[(2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 17294540
2-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride
CID 17054533
2-[[3-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride
CID 17055126
2-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol
CID 66534458
(2S)-1-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 29186334
2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol
CID 4720119
N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332479

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride?
The IUPAC name of 2-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride (CID 17055248) is 2-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride.
What is the SMILES notation for 2-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride?
The canonical SMILES for 2-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride is Cc1ccc(COc2ccc(Br)cc2CNCC(O)c2ccccc2)cc1.Cl.
What is the InChIKey of 2-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride?
The InChIKey is ODNVEFOPMHEDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrNO2.ClH/c1-17-7-9-18(10-8-17)16-27-23-12-11-21(24)13-20(23)14-25-15-22(26)19-5-3-2-4-6-19;/h2-13,22,25-26H,14-16H2,1H3;1H.
What are the key properties of 2-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride?
2-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride has a molecular weight of 462.82 g/mol, XLogP of 5.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride is sourced from PubChem (CID 17055248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).