2-(5-bromo-2-methoxyphenyl)-1-[3-(dimethylamino)phenyl]ethanol

C17H20BrNO2 — CID 105081993

IUPAC2-(5-bromo-2-methoxyphenyl)-1-[3-(dimethylamino)phenyl]ethanol
SMILESCOc1ccc(Br)cc1CC(O)c1cccc(N(C)C)c1
InChIInChI=1S/C17H20BrNO2/c1-19(2)15-6-4-5-12(10-15)16(20)11-13-9-14(18)7-8-17(13)21-3/h4-10,16,20H,11H2,1-3H3
InChIKeyPUKAWNZETBPVRH-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.80
Rot. Bonds5

About 2-(5-bromo-2-methoxyphenyl)-1-[3-(dimethylamino)phenyl]ethanol

2-(5-bromo-2-methoxyphenyl)-1-[3-(dimethylamino)phenyl]ethanol (PubChem CID 105081993) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-1-[3-(dimethylamino)phenyl]ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-1-[3-(dimethylamino)phenyl]ethanol
PubChem CID105081993
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name2-(5-bromo-2-methoxyphenyl)-1-[3-(dimethylamino)phenyl]ethanol
SMILESCOc1ccc(Br)cc1CC(O)c1cccc(N(C)C)c1
InChIInChI=1S/C17H20BrNO2/c1-19(2)15-6-4-5-12(10-15)16(20)11-13-9-14(18)7-8-17(13)21-3/h4-10,16,20H,11H2,1-3H3
InChIKeyPUKAWNZETBPVRH-UHFFFAOYSA-N
XLogP3.80
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanol
CID 105077529
1,2-bis(5-bromo-2-methoxyphenyl)ethanol
CID 63895550
2-(5-bromo-2-methoxyphenyl)-1-(5-bromothiophen-3-yl)ethanol
CID 105081985
1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 107947313
2-(5-bromo-2-methoxyphenyl)-1-(3-bromo-2-methylphenyl)ethanol
CID 115779294
2-(5-bromo-2-methoxyphenyl)-1-(2,4-dibromophenyl)ethanol
CID 107947314
1-(2-aminophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 64832581
[2-(5-bromo-2-methoxyphenyl)-1-(3-bromophenyl)ethyl]hydrazine
CID 105198026
3-(5-bromo-2-methoxyphenyl)-2-phenylpropan-1-ol
CID 66060063
1-(5-bromo-2-methoxyphenyl)-4-(dimethylamino)butan-2-ol
CID 113291156
2-(5-bromo-2-methoxyphenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 79061363
3-[1-amino-2-(2-methoxyphenyl)ethyl]-N,N-dimethylaniline
CID 105107410

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-[3-(dimethylamino)phenyl]ethanol?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-[3-(dimethylamino)phenyl]ethanol (CID 105081993) is 2-(5-bromo-2-methoxyphenyl)-1-[3-(dimethylamino)phenyl]ethanol.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-1-[3-(dimethylamino)phenyl]ethanol?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-1-[3-(dimethylamino)phenyl]ethanol is COc1ccc(Br)cc1CC(O)c1cccc(N(C)C)c1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-1-[3-(dimethylamino)phenyl]ethanol?
The InChIKey is PUKAWNZETBPVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-19(2)15-6-4-5-12(10-15)16(20)11-13-9-14(18)7-8-17(13)21-3/h4-10,16,20H,11H2,1-3H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-1-[3-(dimethylamino)phenyl]ethanol?
2-(5-bromo-2-methoxyphenyl)-1-[3-(dimethylamino)phenyl]ethanol has a molecular weight of 350.26 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-1-[3-(dimethylamino)phenyl]ethanol is sourced from PubChem (CID 105081993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).