1-(5-bromo-2-methoxy-4-methylphenyl)-2-(2-fluorophenyl)ethanamine

C16H17BrFNO — CID 65440683

IUPAC1-(5-bromo-2-methoxy-4-methylphenyl)-2-(2-fluorophenyl)ethanamine
SMILESCOc1cc(C)c(Br)cc1C(N)Cc1ccccc1F
InChIInChI=1S/C16H17BrFNO/c1-10-7-16(20-2)12(9-13(10)17)15(19)8-11-5-3-4-6-14(11)18/h3-7,9,15H,8,19H2,1-2H3
InChIKeyOCBUQHLNXRRONY-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.15
Rot. Bonds4

About 1-(5-bromo-2-methoxy-4-methylphenyl)-2-(2-fluorophenyl)ethanamine

1-(5-bromo-2-methoxy-4-methylphenyl)-2-(2-fluorophenyl)ethanamine (PubChem CID 65440683) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxy-4-methylphenyl)-2-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxy-4-methylphenyl)-2-(2-fluorophenyl)ethanamine
PubChem CID65440683
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name1-(5-bromo-2-methoxy-4-methylphenyl)-2-(2-fluorophenyl)ethanamine
SMILESCOc1cc(C)c(Br)cc1C(N)Cc1ccccc1F
InChIInChI=1S/C16H17BrFNO/c1-10-7-16(20-2)12(9-13(10)17)15(19)8-11-5-3-4-6-14(11)18/h3-7,9,15H,8,19H2,1-2H3
InChIKeyOCBUQHLNXRRONY-UHFFFAOYSA-N
XLogP4.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-methoxy-4-methylphenyl)-(2-fluorophenyl)methanol
CID 65432204
1-(2-bromo-4,5-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine
CID 43118218
1-(2,4-difluoro-5-methylphenyl)-2-(2-methoxyphenyl)ethanamine
CID 79724225
1-(5-bromo-2-methoxy-4-methylphenyl)-2-(2-methoxyphenyl)ethanol
CID 65434708
1-(5-bromo-2-methoxy-4-methylphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 65440865
1-(2-bromo-5-iodophenyl)-2-(2-fluorophenyl)ethanamine
CID 114026947
1-(5-bromo-2-methoxy-4-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207664
2-(5-bromo-2-fluorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine
CID 115839848
1-(4-bromo-5-methylthiophen-2-yl)-2-(2-fluorophenyl)ethanamine
CID 102827158
(3-bromo-4-fluorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine
CID 107950673
1-(2-bromo-3-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035659
1-(2-bromo-3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826712

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxy-4-methylphenyl)-2-(2-fluorophenyl)ethanamine?
The IUPAC name of 1-(5-bromo-2-methoxy-4-methylphenyl)-2-(2-fluorophenyl)ethanamine (CID 65440683) is 1-(5-bromo-2-methoxy-4-methylphenyl)-2-(2-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(5-bromo-2-methoxy-4-methylphenyl)-2-(2-fluorophenyl)ethanamine?
The canonical SMILES for 1-(5-bromo-2-methoxy-4-methylphenyl)-2-(2-fluorophenyl)ethanamine is COc1cc(C)c(Br)cc1C(N)Cc1ccccc1F.
What is the InChIKey of 1-(5-bromo-2-methoxy-4-methylphenyl)-2-(2-fluorophenyl)ethanamine?
The InChIKey is OCBUQHLNXRRONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-10-7-16(20-2)12(9-13(10)17)15(19)8-11-5-3-4-6-14(11)18/h3-7,9,15H,8,19H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methoxy-4-methylphenyl)-2-(2-fluorophenyl)ethanamine?
1-(5-bromo-2-methoxy-4-methylphenyl)-2-(2-fluorophenyl)ethanamine has a molecular weight of 338.22 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxy-4-methylphenyl)-2-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 65440683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).