2-bromo-6-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline

C15H14BrF2NO — CID 107597790

IUPAC2-bromo-6-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
SMILESCOc1ccc(C(C)Nc2c(F)cccc2Br)cc1F
InChIInChI=1S/C15H14BrF2NO/c1-9(10-6-7-14(20-2)13(18)8-10)19-15-11(16)4-3-5-12(15)17/h3-9,19H,1-2H3
InChIKeyGBLWYGQVTJCSRG-UHFFFAOYSA-N
MW342.18 g/mol
LogP4.91
Rot. Bonds4

About 2-bromo-6-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline

2-bromo-6-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline (PubChem CID 107597790) has the molecular formula C15H14BrF2NO and a molecular weight of 342.18 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
PubChem CID107597790
Molecular FormulaC15H14BrF2NO
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Name2-bromo-6-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
SMILESCOc1ccc(C(C)Nc2c(F)cccc2Br)cc1F
InChIInChI=1S/C15H14BrF2NO/c1-9(10-6-7-14(20-2)13(18)8-10)19-15-11(16)4-3-5-12(15)17/h3-9,19H,1-2H3
InChIKeyGBLWYGQVTJCSRG-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

4-bromo-2,6-difluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 65469450
4-bromo-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,6-dimethylaniline
CID 63448717
2-bromo-6-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 107597769
2-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4,6-difluoroaniline
CID 43775014
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43190042
2,4,6-trichloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43126432
2-bromo-N-[1-[4-(difluoromethoxy)phenyl]ethyl]-6-fluoroaniline
CID 107598304
N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 43225807
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-bromo-6-fluoroaniline
CID 107598516
3-bromo-4-[1-(3-fluoro-4-methoxyphenyl)ethylamino]benzonitrile
CID 43722799
1-bromo-2-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-3-fluorobenzene
CID 114560660
2-bromo-4,6-difluoro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]aniline
CID 83059918

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline?
The IUPAC name of 2-bromo-6-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline (CID 107597790) is 2-bromo-6-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline.
What is the SMILES notation for 2-bromo-6-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline?
The canonical SMILES for 2-bromo-6-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline is COc1ccc(C(C)Nc2c(F)cccc2Br)cc1F.
What is the InChIKey of 2-bromo-6-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline?
The InChIKey is GBLWYGQVTJCSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO/c1-9(10-6-7-14(20-2)13(18)8-10)19-15-11(16)4-3-5-12(15)17/h3-9,19H,1-2H3.
What are the key properties of 2-bromo-6-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline?
2-bromo-6-fluoro-N-[1-(3-fluoro-4-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-6-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline is sourced from PubChem (CID 107597790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).