1-(4-bromo-2-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine

C16H17BrFNO — CID 115829625

IUPAC1-(4-bromo-2-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CC(N)c2ccc(Br)cc2C)cc1F
InChIInChI=1S/C16H17BrFNO/c1-10-7-12(17)4-5-13(10)15(19)9-11-3-6-16(20-2)14(18)8-11/h3-8,15H,9,19H2,1-2H3
InChIKeyUOYXZCBPHKNPCU-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.15
Rot. Bonds4

About 1-(4-bromo-2-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine

1-(4-bromo-2-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine (PubChem CID 115829625) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
PubChem CID115829625
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name1-(4-bromo-2-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CC(N)c2ccc(Br)cc2C)cc1F
InChIInChI=1S/C16H17BrFNO/c1-10-7-12(17)4-5-13(10)15(19)9-11-3-6-16(20-2)14(18)8-11/h3-8,15H,9,19H2,1-2H3
InChIKeyUOYXZCBPHKNPCU-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-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)ethanamine
CID 62602782
1-(4-bromo-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 61078831
1-(2-bromo-4-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829871
2-(3,4-dimethoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 62790885
1-(4-chloro-3-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829672
2-(3-fluoro-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanamine
CID 105122098
1-(4,5-dimethylthiophen-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829855
2-(3-fluoro-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 115829866
2-(3-fluoro-4-methoxyphenyl)-1-(5-methylfuran-2-yl)ethanamine
CID 115829621
1-(2,3-dichlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829955
1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 115800843
1-(5-bromo-2-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107891666

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine (CID 115829625) is 1-(4-bromo-2-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine is COc1ccc(CC(N)c2ccc(Br)cc2C)cc1F.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine?
The InChIKey is UOYXZCBPHKNPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-10-7-12(17)4-5-13(10)15(19)9-11-3-6-16(20-2)14(18)8-11/h3-8,15H,9,19H2,1-2H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine?
1-(4-bromo-2-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)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-(4-bromo-2-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine is sourced from PubChem (CID 115829625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).