2-bromo-5-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline

C15H14BrF2NO — CID 107633140

IUPAC2-bromo-5-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline
SMILESCOc1cccc(F)c1C(C)Nc1cc(F)ccc1Br
InChIInChI=1S/C15H14BrF2NO/c1-9(15-12(18)4-3-5-14(15)20-2)19-13-8-10(17)6-7-11(13)16/h3-9,19H,1-2H3
InChIKeySQDNXWMNEQXBJB-UHFFFAOYSA-N
MW342.18 g/mol
LogP4.91
Rot. Bonds4

About 2-bromo-5-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline

2-bromo-5-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline (PubChem CID 107633140) has the molecular formula C15H14BrF2NO and a molecular weight of 342.18 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline
PubChem CID107633140
Molecular FormulaC15H14BrF2NO
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Name2-bromo-5-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline
SMILESCOc1cccc(F)c1C(C)Nc1cc(F)ccc1Br
InChIInChI=1S/C15H14BrF2NO/c1-9(15-12(18)4-3-5-14(15)20-2)19-13-8-10(17)6-7-11(13)16/h3-9,19H,1-2H3
InChIKeySQDNXWMNEQXBJB-UHFFFAOYSA-N
XLogP4.91
TPSA21.26 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 ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[1-(2,6-difluorophenyl)ethyl]-5-fluoroaniline
CID 107632832
4-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline
CID 115916765
2-bromo-N-[1-(3,4-dimethoxyphenyl)ethyl]-5-fluoroaniline
CID 107633267
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-2-amine
CID 115705454
3-chloro-5-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline
CID 107364141
N-(2-bromo-5-fluorophenyl)-2-fluoro-6-methoxybenzamide
CID 103756076
1-[2-(2-bromo-4-fluorophenoxy)-6-fluorophenyl]-N-methylethanamine
CID 43285267
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 115704747
5-bromo-N-[1-(2,6-difluorophenyl)ethyl]-2,4-difluoroaniline
CID 102852745
2-[1-(2-bromo-5-fluoroanilino)ethyl]phenol
CID 107633370
2-bromo-5-fluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 107633051
N-[1-(2,6-difluorophenyl)ethyl]-2-ethoxy-4-fluoroaniline
CID 43730076

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline?
The IUPAC name of 2-bromo-5-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline (CID 107633140) is 2-bromo-5-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline.
What is the SMILES notation for 2-bromo-5-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline?
The canonical SMILES for 2-bromo-5-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline is COc1cccc(F)c1C(C)Nc1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-5-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline?
The InChIKey is SQDNXWMNEQXBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO/c1-9(15-12(18)4-3-5-14(15)20-2)19-13-8-10(17)6-7-11(13)16/h3-9,19H,1-2H3.
What are the key properties of 2-bromo-5-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline?
2-bromo-5-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline has a molecular weight of 342.18 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline is sourced from PubChem (CID 107633140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).