2-(3-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanol

C16H18BrNO — CID 105077529

IUPAC2-(3-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanol
SMILESCN(C)c1cccc(C(O)Cc2cccc(Br)c2)c1
InChIInChI=1S/C16H18BrNO/c1-18(2)15-8-4-6-13(11-15)16(19)10-12-5-3-7-14(17)9-12/h3-9,11,16,19H,10H2,1-2H3
InChIKeyIBYYNGZVKUJLCD-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.79
Rot. Bonds4

About 2-(3-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanol

2-(3-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanol (PubChem CID 105077529) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanol.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanol
PubChem CID105077529
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name2-(3-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanol
SMILESCN(C)c1cccc(C(O)Cc2cccc(Br)c2)c1
InChIInChI=1S/C16H18BrNO/c1-18(2)15-8-4-6-13(11-15)16(19)10-12-5-3-7-14(17)9-12/h3-9,11,16,19H,10H2,1-2H3
InChIKeyIBYYNGZVKUJLCD-UHFFFAOYSA-N
XLogP3.79
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-methoxyphenyl)-1-[3-(dimethylamino)phenyl]ethanol
CID 105081993
2-(3-bromophenyl)-1-(3-chlorophenyl)ethanol
CID 60797873
2-(3-bromophenyl)-1-(3-methoxyphenyl)ethanol
CID 60797863
1-(3-bromo-4-methylphenyl)-2-(3-bromophenyl)ethanol
CID 81488750
2-(3-bromophenyl)-1-(3-ethoxyphenyl)ethanol
CID 60798972
1-[3-(dimethylamino)phenyl]-3-methylbutan-1-ol
CID 105076156
1-[3-(dimethylamino)phenyl]-2-(furan-2-yl)ethanol
CID 105122910
3-amino-1-[3-(dimethylamino)phenyl]propan-1-ol
CID 82605939
1-[3-(dimethylamino)phenyl]-3-methylbut-3-en-1-ol
CID 105110020
3-[1-amino-2-(4-bromophenyl)ethyl]-N,N-dimethylaniline
CID 105089022
2-(3-bromophenyl)-1-(4-ethylsulfanylphenyl)ethanol
CID 106848125
1-(3-bromo-5-fluorophenyl)-2-(3-bromophenyl)ethanol
CID 63017169

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanol?
The IUPAC name of 2-(3-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanol (CID 105077529) is 2-(3-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanol.
What is the SMILES notation for 2-(3-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanol?
The canonical SMILES for 2-(3-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanol is CN(C)c1cccc(C(O)Cc2cccc(Br)c2)c1.
What is the InChIKey of 2-(3-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanol?
The InChIKey is IBYYNGZVKUJLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-18(2)15-8-4-6-13(11-15)16(19)10-12-5-3-7-14(17)9-12/h3-9,11,16,19H,10H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanol?
2-(3-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanol has a molecular weight of 320.23 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanol is sourced from PubChem (CID 105077529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).