2-(4-bromo-2-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanamine

C15H14Br2FNO — CID 105137155

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

About 2-(4-bromo-2-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanamine

2-(4-bromo-2-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanamine (PubChem CID 105137155) has the molecular formula C15H14Br2FNO and a molecular weight of 403.09 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanamine
PubChem CID105137155
Molecular FormulaC15H14Br2FNO
Molecular Weight403.09 g/mol
Exact Mass400.94
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanamine
SMILESCOc1ccc(Br)c(C(N)Cc2ccc(Br)cc2F)c1
InChIInChI=1S/C15H14Br2FNO/c1-20-11-4-5-13(17)12(8-11)15(19)6-9-2-3-10(16)7-14(9)18/h2-5,7-8,15H,6,19H2,1H3
InChIKeyUEHDBESZIYVXTN-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

1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 105190420
1-(2-bromo-5-methoxyphenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102866744
1-(4-bromo-2,6-difluorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanamine
CID 115862408
(1S)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine
CID 130673057
(1R)-1-(2-bromo-5-methoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171204828
1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 105180937
(1R)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171224399
[2-(5-bromo-2-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethyl]hydrazine
CID 105294959
(1S)-1-(2-bromo-5-methoxyphenyl)butane-1,4-diamine
CID 171224402
2-(4-bromo-2-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanamine
CID 105137154
2-(2-bromo-5-methoxyphenyl)-1-(4-chloro-2-fluorophenyl)ethanamine
CID 65325566
[1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethyl]hydrazine
CID 105342752

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanamine?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanamine (CID 105137155) is 2-(4-bromo-2-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanamine is COc1ccc(Br)c(C(N)Cc2ccc(Br)cc2F)c1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanamine?
The InChIKey is UEHDBESZIYVXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2FNO/c1-20-11-4-5-13(17)12(8-11)15(19)6-9-2-3-10(16)7-14(9)18/h2-5,7-8,15H,6,19H2,1H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanamine?
2-(4-bromo-2-fluorophenyl)-1-(2-bromo-5-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-(2-bromo-5-methoxyphenyl)ethanamine is sourced from PubChem (CID 105137155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).