2-(4-bromo-2-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)ethanamine

C15H14Br2FNO — CID 115844636

IUPAC2-(4-bromo-2-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)Cc2ccc(Br)cc2F)cc1Br
InChIInChI=1S/C15H14Br2FNO/c1-20-15-5-3-10(6-12(15)17)14(19)7-9-2-4-11(16)8-13(9)18/h2-6,8,14H,7,19H2,1H3
InChIKeyFIRZVCKKZIAUBJ-UHFFFAOYSA-N
MW403.09 g/mol
LogP4.60
Rot. Bonds4

About 2-(4-bromo-2-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)ethanamine

2-(4-bromo-2-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)ethanamine (PubChem CID 115844636) has the molecular formula C15H14Br2FNO and a molecular weight of 403.09 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)ethanamine
PubChem CID115844636
Molecular FormulaC15H14Br2FNO
Molecular Weight403.09 g/mol
Exact Mass400.94
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)Cc2ccc(Br)cc2F)cc1Br
InChIInChI=1S/C15H14Br2FNO/c1-20-15-5-3-10(6-12(15)17)14(19)7-9-2-4-11(16)8-13(9)18/h2-6,8,14H,7,19H2,1H3
InChIKeyFIRZVCKKZIAUBJ-UHFFFAOYSA-N
XLogP4.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.09
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115844728
1-(3-bromo-4-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine
CID 115840124
N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 43230891
(1R)-1-(3-bromo-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171225474
1-(3-bromo-4-ethoxyphenyl)-2-(2,4-difluorophenyl)ethanamine
CID 104657340
1-[4-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 60877895
1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107885311
(1R)-1-(3-bromo-4-methoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171205900
(1R)-1-(3-bromo-4-methoxyphenyl)propan-1-amine
CID 28881228
2-(4-bromo-2-fluorophenyl)-1-(3,4-dichlorophenyl)ethanamine
CID 81491392
1-(4-bromo-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 62602156
(1S)-1-(3-bromo-4-methoxyphenyl)-3,3-difluoropropan-1-amine
CID 171313051

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)ethanamine?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)ethanamine (CID 115844636) is 2-(4-bromo-2-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)ethanamine is COc1ccc(C(N)Cc2ccc(Br)cc2F)cc1Br.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)ethanamine?
The InChIKey is FIRZVCKKZIAUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2FNO/c1-20-15-5-3-10(6-12(15)17)14(19)7-9-2-4-11(16)8-13(9)18/h2-6,8,14H,7,19H2,1H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)ethanamine?
2-(4-bromo-2-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)ethanamine has a molecular weight of 403.09 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)ethanamine is sourced from PubChem (CID 115844636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).