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

C16H17BrFNO — CID 115843147

IUPAC2-(2-bromo-4-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
SMILESCOc1cc(C(N)Cc2ccc(F)cc2Br)ccc1C
InChIInChI=1S/C16H17BrFNO/c1-10-3-4-12(8-16(10)20-2)15(19)7-11-5-6-13(18)9-14(11)17/h3-6,8-9,15H,7,19H2,1-2H3
InChIKeyLEBFASJWWAPVKR-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.15
Rot. Bonds4

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

2-(2-bromo-4-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine (PubChem CID 115843147) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
PubChem CID115843147
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name2-(2-bromo-4-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
SMILESCOc1cc(C(N)Cc2ccc(F)cc2Br)ccc1C
InChIInChI=1S/C16H17BrFNO/c1-10-3-4-12(8-16(10)20-2)15(19)7-11-5-6-13(18)9-14(11)17/h3-6,8-9,15H,7,19H2,1-2H3
InChIKeyLEBFASJWWAPVKR-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

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

2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 105035532
2-(2-bromo-3-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 105020500
1-(3-bromo-4-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374267
2-bromo-4-fluoro-1-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene
CID 63458719
2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanamine
CID 55095103
1-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)ethanamine
CID 61078516
1-(4-bromo-3-methylphenyl)-2-(2-chloro-5-fluorophenyl)ethanamine
CID 102622572
2-(2-bromo-5-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine
CID 115843687
2-(4-bromo-2-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 115844636
2-(2-bromo-4-fluorophenyl)-1-(3-bromo-5-fluorophenyl)ethanamine
CID 66425067
1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373640
2-(2-fluoro-3-methoxyphenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 104793765

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine (CID 115843147) is 2-(2-bromo-4-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine is COc1cc(C(N)Cc2ccc(F)cc2Br)ccc1C.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine?
The InChIKey is LEBFASJWWAPVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-10-3-4-12(8-16(10)20-2)15(19)7-11-5-6-13(18)9-14(11)17/h3-6,8-9,15H,7,19H2,1-2H3.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine?
2-(2-bromo-4-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-4-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine is sourced from PubChem (CID 115843147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).