2-(3-bromo-2,6-difluorophenyl)-1-(2-methoxyphenyl)ethanamine

C15H14BrF2NO — CID 106266739

IUPAC2-(3-bromo-2,6-difluorophenyl)-1-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1C(N)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H14BrF2NO/c1-20-14-5-3-2-4-9(14)13(19)8-10-12(17)7-6-11(16)15(10)18/h2-7,13H,8,19H2,1H3
InChIKeyOJHCPKXQYSAOCW-UHFFFAOYSA-N
MW342.18 g/mol
LogP3.98
Rot. Bonds4

About 2-(3-bromo-2,6-difluorophenyl)-1-(2-methoxyphenyl)ethanamine

2-(3-bromo-2,6-difluorophenyl)-1-(2-methoxyphenyl)ethanamine (PubChem CID 106266739) has the molecular formula C15H14BrF2NO and a molecular weight of 342.18 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-1-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-1-(2-methoxyphenyl)ethanamine
PubChem CID106266739
Molecular FormulaC15H14BrF2NO
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-1-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1C(N)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H14BrF2NO/c1-20-14-5-3-2-4-9(14)13(19)8-10-12(17)7-6-11(16)15(10)18/h2-7,13H,8,19H2,1H3
InChIKeyOJHCPKXQYSAOCW-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dimethylphenyl)ethanamine
CID 106273742
2-(3-bromo-2,6-difluorophenyl)-1-(4-bromo-2-fluorophenyl)ethanamine
CID 106268783
2-(3-bromo-2,6-difluorophenyl)-1-(4-methylthiophen-3-yl)ethanamine
CID 106268120
1-(3-bromo-2-fluorophenyl)-2-(2,6-difluorophenyl)ethanamine
CID 106647905
1-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 106269159
(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methanamine
CID 106645247
2-(3-bromo-2,6-difluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 106266780
2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 106274038
(1S)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 51699599
2-(3-bromo-2,6-difluorophenyl)-1-(5-bromo-2-iodophenyl)ethanamine
CID 106273986
1-(2-bromo-3-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035659
(1S)-1,2-bis(2-methoxyphenyl)ethanamine
CID 36689288

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(2-methoxyphenyl)ethanamine?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(2-methoxyphenyl)ethanamine (CID 106266739) is 2-(3-bromo-2,6-difluorophenyl)-1-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-1-(2-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-1-(2-methoxyphenyl)ethanamine is COc1ccccc1C(N)Cc1c(F)ccc(Br)c1F.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-1-(2-methoxyphenyl)ethanamine?
The InChIKey is OJHCPKXQYSAOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO/c1-20-14-5-3-2-4-9(14)13(19)8-10-12(17)7-6-11(16)15(10)18/h2-7,13H,8,19H2,1H3.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-1-(2-methoxyphenyl)ethanamine?
2-(3-bromo-2,6-difluorophenyl)-1-(2-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-(3-bromo-2,6-difluorophenyl)-1-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 106266739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).