2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-methylphenyl]ethanamine

C16H17BrFNO — CID 115957662

IUPAC2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
SMILESCc1cccc(CCN)c1OCc1ccc(F)c(Br)c1
InChIInChI=1S/C16H17BrFNO/c1-11-3-2-4-13(7-8-19)16(11)20-10-12-5-6-15(18)14(17)9-12/h2-6,9H,7-8,10,19H2,1H3
InChIKeyZJGWBUNNGGREEA-UHFFFAOYSA-N
MW338.22 g/mol
LogP3.98
Rot. Bonds5

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

2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-methylphenyl]ethanamine (PubChem CID 115957662) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-methylphenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
PubChem CID115957662
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
SMILESCc1cccc(CCN)c1OCc1ccc(F)c(Br)c1
InChIInChI=1S/C16H17BrFNO/c1-11-3-2-4-13(7-8-19)16(11)20-10-12-5-6-15(18)14(17)9-12/h2-6,9H,7-8,10,19H2,1H3
InChIKeyZJGWBUNNGGREEA-UHFFFAOYSA-N
XLogP3.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-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-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 115957934
2-[2-[(3-bromo-5-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 115957707
2-[4-[(3-bromo-4-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine
CID 79882250
2-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 112614778
2-[3-fluoro-2-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 112615255
5-bromo-2-[(3-bromo-4-fluorophenyl)methoxy]-3-methylaniline
CID 79843197
[4-[(3-bromo-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine
CID 79886486
[2-[(3-fluoro-4-nitrophenyl)methoxy]-3-methylphenyl]methanamine
CID 115951857
2-bromo-4-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1-methoxybenzene
CID 115956472
2-[4-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 107692866
2-[5-bromo-2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine
CID 115962661
2-[2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine
CID 114321473

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-methylphenyl]ethanamine?
The IUPAC name of 2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-methylphenyl]ethanamine (CID 115957662) is 2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-methylphenyl]ethanamine.
What is the SMILES notation for 2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-methylphenyl]ethanamine?
The canonical SMILES for 2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-methylphenyl]ethanamine is Cc1cccc(CCN)c1OCc1ccc(F)c(Br)c1.
What is the InChIKey of 2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-methylphenyl]ethanamine?
The InChIKey is ZJGWBUNNGGREEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-11-3-2-4-13(7-8-19)16(11)20-10-12-5-6-15(18)14(17)9-12/h2-6,9H,7-8,10,19H2,1H3.
What are the key properties of 2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-methylphenyl]ethanamine?
2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-methylphenyl]ethanamine has a molecular weight of 338.22 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-methylphenyl]ethanamine is sourced from PubChem (CID 115957662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).