2-(4-bromophenyl)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine

C15H14BrF2NO — CID 60964951

IUPAC2-(4-bromophenyl)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine
SMILESCOc1cc(F)c(C(N)Cc2ccc(Br)cc2)c(F)c1
InChIInChI=1S/C15H14BrF2NO/c1-20-11-7-12(17)15(13(18)8-11)14(19)6-9-2-4-10(16)5-3-9/h2-5,7-8,14H,6,19H2,1H3
InChIKeyIATQKBBJZKVODQ-UHFFFAOYSA-N
MW342.18 g/mol
LogP3.98
Rot. Bonds4

About 2-(4-bromophenyl)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine

2-(4-bromophenyl)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine (PubChem CID 60964951) has the molecular formula C15H14BrF2NO and a molecular weight of 342.18 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine
PubChem CID60964951
Molecular FormulaC15H14BrF2NO
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Name2-(4-bromophenyl)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine
SMILESCOc1cc(F)c(C(N)Cc2ccc(Br)cc2)c(F)c1
InChIInChI=1S/C15H14BrF2NO/c1-20-11-7-12(17)15(13(18)8-11)14(19)6-9-2-4-10(16)5-3-9/h2-5,7-8,14H,6,19H2,1H3
InChIKeyIATQKBBJZKVODQ-UHFFFAOYSA-N
XLogP3.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43561233
2-(4-bromophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 43198672
1-(4-bromo-2,6-difluorophenyl)-2-(4-ethylphenyl)ethanamine
CID 115803938
2-(4-bromophenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanamine
CID 106877345
1-(4-bromo-2,6-difluorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanamine
CID 115862408
1-(2,6-difluoro-4-methoxyphenyl)hexan-1-amine
CID 54880583
(1R)-1-(2,6-difluoro-4-methoxyphenyl)hexan-1-amine;hydrochloride
CID 171215785
1-(4-fluoro-2,6-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine
CID 106877505
1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 61079421
1-(2,6-difluoro-4-methoxyphenyl)-2-(2,5-dimethylphenyl)ethanamine
CID 62538840
2-(4-bromophenyl)-1-(2-chloro-4-methoxyphenyl)ethanamine
CID 43561802
(1S)-1-(2,6-difluoro-4-methoxyphenyl)pentane-1,5-diamine
CID 171235409

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine (CID 60964951) is 2-(4-bromophenyl)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine is COc1cc(F)c(C(N)Cc2ccc(Br)cc2)c(F)c1.
What is the InChIKey of 2-(4-bromophenyl)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine?
The InChIKey is IATQKBBJZKVODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO/c1-20-11-7-12(17)15(13(18)8-11)14(19)6-9-2-4-10(16)5-3-9/h2-5,7-8,14H,6,19H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine?
2-(4-bromophenyl)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine has a molecular weight of 342.18 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine is sourced from PubChem (CID 60964951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).