1-(4-bromo-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanamine

C16H17BrFNO2 — CID 61078831

IUPAC1-(4-bromo-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanamine
SMILESCOc1ccc(CC(N)c2ccc(Br)cc2F)cc1OC
InChIInChI=1S/C16H17BrFNO2/c1-20-15-6-3-10(8-16(15)21-2)7-14(19)12-5-4-11(17)9-13(12)18/h3-6,8-9,14H,7,19H2,1-2H3
InChIKeyIGUWFOYFKKXCSR-UHFFFAOYSA-N
MW354.22 g/mol
LogP3.85
Rot. Bonds5

About 1-(4-bromo-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanamine

1-(4-bromo-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanamine (PubChem CID 61078831) has the molecular formula C16H17BrFNO2 and a molecular weight of 354.22 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanamine
PubChem CID61078831
Molecular FormulaC16H17BrFNO2
Molecular Weight354.22 g/mol
Exact Mass353.04
IUPAC Name1-(4-bromo-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanamine
SMILESCOc1ccc(CC(N)c2ccc(Br)cc2F)cc1OC
InChIInChI=1S/C16H17BrFNO2/c1-20-15-6-3-10(8-16(15)21-2)7-14(19)12-5-4-11(17)9-13(12)18/h3-6,8-9,14H,7,19H2,1-2H3
InChIKeyIGUWFOYFKKXCSR-UHFFFAOYSA-N
XLogP3.85
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829625
1-(4-bromo-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanamine
CID 114905993
2-(4-bromophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43561233
4-bromo-2-[1-bromo-2-(3,4-dimethoxyphenyl)ethyl]-1-fluorobenzene
CID 63544125
2-(3,4-dimethoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 62790885
1-(4-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 114906232
1-(4-bromo-2-fluorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol
CID 63893179
1-(2-bromo-4-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829871
1-(4-bromo-2-fluorophenyl)-2-methoxyethanamine
CID 112693311
1-(4-bromo-2-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 115369457
1-(4-bromo-2-methoxyphenyl)-2-(4-iodophenyl)ethanamine
CID 115864418
2-(5-bromo-2-fluorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine
CID 115839848

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanamine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanamine (CID 61078831) is 1-(4-bromo-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanamine is COc1ccc(CC(N)c2ccc(Br)cc2F)cc1OC.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanamine?
The InChIKey is IGUWFOYFKKXCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO2/c1-20-15-6-3-10(8-16(15)21-2)7-14(19)12-5-4-11(17)9-13(12)18/h3-6,8-9,14H,7,19H2,1-2H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanamine?
1-(4-bromo-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanamine has a molecular weight of 354.22 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanamine is sourced from PubChem (CID 61078831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).