2-(2-bromo-5-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine

C16H17BrFNO — CID 115843576

IUPAC2-(2-bromo-5-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1C(N)Cc1cc(F)ccc1Br
InChIInChI=1S/C16H17BrFNO/c1-10-3-6-16(20-2)13(7-10)15(19)9-11-8-12(18)4-5-14(11)17/h3-8,15H,9,19H2,1-2H3
InChIKeyWLCYMDWASRYKGT-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.15
Rot. Bonds4

About 2-(2-bromo-5-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine

2-(2-bromo-5-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine (PubChem CID 115843576) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
PubChem CID115843576
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name2-(2-bromo-5-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1C(N)Cc1cc(F)ccc1Br
InChIInChI=1S/C16H17BrFNO/c1-10-3-6-16(20-2)13(7-10)15(19)9-11-8-12(18)4-5-14(11)17/h3-8,15H,9,19H2,1-2H3
InChIKeyWLCYMDWASRYKGT-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-(4-fluoro-2-methylphenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 105050993
1-(2-bromo-5-methylphenyl)-2-(2,4-difluorophenyl)ethanamine
CID 81111888
2-(2-bromo-5-fluorophenyl)-1-(2-methylphenyl)ethanamine
CID 62600298
2-(2,5-difluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791557
1-(2-fluoro-3-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826307
1-(2-bromo-3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826712
1-(2,3-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826541
(2-bromo-5-methylphenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 81111399
[(2-bromo-5-fluorophenyl)-(2-methoxy-5-methylphenyl)methyl]hydrazine
CID 105303569
1-(3-bromo-2-methylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035605
1-(3-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine
CID 115843513
1-(5-bromo-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826789

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine (CID 115843576) is 2-(2-bromo-5-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine is COc1ccc(C)cc1C(N)Cc1cc(F)ccc1Br.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine?
The InChIKey is WLCYMDWASRYKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-10-3-6-16(20-2)13(7-10)15(19)9-11-8-12(18)4-5-14(11)17/h3-8,15H,9,19H2,1-2H3.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine?
2-(2-bromo-5-fluorophenyl)-1-(2-methoxy-5-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-5-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine is sourced from PubChem (CID 115843576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).