1-(2-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine

C15H15BrFNO — CID 61078317

IUPAC1-(2-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CC(N)c2cc(F)ccc2Br)cc1
InChIInChI=1S/C15H15BrFNO/c1-19-12-5-2-10(3-6-12)8-15(18)13-9-11(17)4-7-14(13)16/h2-7,9,15H,8,18H2,1H3
InChIKeyVRZYRGCEVIMLBY-UHFFFAOYSA-N
MW324.19 g/mol
LogP3.84
Rot. Bonds4

About 1-(2-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine

1-(2-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine (PubChem CID 61078317) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine
PubChem CID61078317
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name1-(2-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CC(N)c2cc(F)ccc2Br)cc1
InChIInChI=1S/C15H15BrFNO/c1-19-12-5-2-10(3-6-12)8-15(18)13-9-11(17)4-7-14(13)16/h2-7,9,15H,8,18H2,1H3
InChIKeyVRZYRGCEVIMLBY-UHFFFAOYSA-N
XLogP3.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bromo-5-fluorophenyl)-2-(3,5-difluorophenyl)ethanamine
CID 105412511
1-(3,5-difluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 61079796
1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 61079421
1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanamine
CID 43561226
1-(2-bromo-5-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62538802
2-(4-methoxyphenyl)-1-(2,4,5-trifluorophenyl)ethanamine
CID 103301772
1-(2-bromo-5-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 105098960
2-(4-bromophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43561233
(1R)-1-(2-bromo-5-fluorophenyl)-2-fluoroethanamine
CID 124707188
(2-bromo-5-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43197258
1-(2-fluoro-3-methoxyphenyl)-2-(4-methoxyphenyl)ethanamine
CID 82807174
1-(2,4-difluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanamine
CID 79724876

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine (CID 61078317) is 1-(2-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine is COc1ccc(CC(N)c2cc(F)ccc2Br)cc1.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine?
The InChIKey is VRZYRGCEVIMLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-19-12-5-2-10(3-6-12)8-15(18)13-9-11(17)4-7-14(13)16/h2-7,9,15H,8,18H2,1H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine?
1-(2-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine has a molecular weight of 324.19 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 61078317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).