2-(2-bromo-3-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine

C16H17BrFNO — CID 105020500

IUPAC2-(2-bromo-3-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
SMILESCOc1cc(C(N)Cc2cccc(F)c2Br)ccc1C
InChIInChI=1S/C16H17BrFNO/c1-10-6-7-11(9-15(10)20-2)14(19)8-12-4-3-5-13(18)16(12)17/h3-7,9,14H,8,19H2,1-2H3
InChIKeyQSSYPWDCNDXHIK-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.15
Rot. Bonds4

About 2-(2-bromo-3-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine

2-(2-bromo-3-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine (PubChem CID 105020500) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 2-(2-bromo-3-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-3-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
PubChem CID105020500
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name2-(2-bromo-3-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
SMILESCOc1cc(C(N)Cc2cccc(F)c2Br)ccc1C
InChIInChI=1S/C16H17BrFNO/c1-10-6-7-11(9-15(10)20-2)14(19)8-12-4-3-5-13(18)16(12)17/h3-7,9,14H,8,19H2,1-2H3
InChIKeyQSSYPWDCNDXHIK-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

2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 105035532
2-(2-bromo-4-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 115843147
2-(2-bromo-3-fluorophenyl)-1-(4-bromo-3-fluorophenyl)ethanamine
CID 105020699
2-(2-fluoro-3-methoxyphenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 104793765
1-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)ethanamine
CID 61078516
1-(4-bromo-3,5-dimethylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 114330177
[2-(2-bromo-3-fluorophenyl)-1-(4-fluoro-3-methoxyphenyl)ethyl]hydrazine
CID 105327080
1-(4-fluoro-3-methylphenyl)-2-(2-methoxyphenyl)ethanamine
CID 55137062
2-(2,6-dichlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 115830327
(1R)-1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine
CID 42058451
1-(2-bromo-3-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035659
2-(2-bromo-3-fluorophenyl)-1-(4-bromo-2-methylphenyl)ethanamine
CID 105020445

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine?
The IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine (CID 105020500) is 2-(2-bromo-3-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2-bromo-3-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine?
The canonical SMILES for 2-(2-bromo-3-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine is COc1cc(C(N)Cc2cccc(F)c2Br)ccc1C.
What is the InChIKey of 2-(2-bromo-3-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine?
The InChIKey is QSSYPWDCNDXHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-10-6-7-11(9-15(10)20-2)14(19)8-12-4-3-5-13(18)16(12)17/h3-7,9,14H,8,19H2,1-2H3.
What are the key properties of 2-(2-bromo-3-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine?
2-(2-bromo-3-fluorophenyl)-1-(3-methoxy-4-methylphenyl)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 2-(2-bromo-3-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine is sourced from PubChem (CID 105020500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).