4-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-fluoroaniline

C15H14Br2FNO — CID 43759736

IUPAC4-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-fluoroaniline
SMILESCOc1ccc(C(C)Nc2ccc(Br)cc2F)cc1Br
InChIInChI=1S/C15H14Br2FNO/c1-9(10-3-6-15(20-2)12(17)7-10)19-14-5-4-11(16)8-13(14)18/h3-9,19H,1-2H3
InChIKeyNWUQNUIFBJVGQK-UHFFFAOYSA-N
MW403.09 g/mol
LogP5.53
Rot. Bonds4

About 4-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-fluoroaniline

4-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-fluoroaniline (PubChem CID 43759736) has the molecular formula C15H14Br2FNO and a molecular weight of 403.09 g/mol. Its IUPAC name is 4-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-fluoroaniline.

Molecular Properties

Compound Name4-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-fluoroaniline
PubChem CID43759736
Molecular FormulaC15H14Br2FNO
Molecular Weight403.09 g/mol
Exact Mass400.94
IUPAC Name4-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-fluoroaniline
SMILESCOc1ccc(C(C)Nc2ccc(Br)cc2F)cc1Br
InChIInChI=1S/C15H14Br2FNO/c1-9(10-3-6-15(20-2)12(17)7-10)19-14-5-4-11(16)8-13(14)18/h3-9,19H,1-2H3
InChIKeyNWUQNUIFBJVGQK-UHFFFAOYSA-N
XLogP5.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.09
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-chloro-2-fluoroaniline
CID 43785070
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,3,4-trifluoroaniline
CID 43759521
4-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-chloroaniline
CID 43774920
4-bromo-2-fluoro-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 43192619
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-fluoro-5-methylaniline
CID 43772760
5-bromo-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-fluoroaniline
CID 43555308
N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 43230891
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-chloro-4-methylaniline
CID 43772643
2-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4,6-difluoroaniline
CID 43775014
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,5-dimethoxyaniline
CID 43760240
N-[(5-bromo-2-fluorophenyl)methyl]-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 43230890
(1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-(4-bromophenyl)ethanamine
CID 81355700

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-fluoroaniline?
The IUPAC name of 4-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-fluoroaniline (CID 43759736) is 4-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-fluoroaniline.
What is the SMILES notation for 4-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-fluoroaniline?
The canonical SMILES for 4-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-fluoroaniline is COc1ccc(C(C)Nc2ccc(Br)cc2F)cc1Br.
What is the InChIKey of 4-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-fluoroaniline?
The InChIKey is NWUQNUIFBJVGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2FNO/c1-9(10-3-6-15(20-2)12(17)7-10)19-14-5-4-11(16)8-13(14)18/h3-9,19H,1-2H3.
What are the key properties of 4-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-fluoroaniline?
4-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-fluoroaniline has a molecular weight of 403.09 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-fluoroaniline is sourced from PubChem (CID 43759736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).