N-[(4-bromo-2-fluorophenyl)methyl]-2-ethoxy-4-fluoroaniline

C15H14BrF2NO — CID 43730106

IUPACN-[(4-bromo-2-fluorophenyl)methyl]-2-ethoxy-4-fluoroaniline
SMILESCCOc1cc(F)ccc1NCc1ccc(Br)cc1F
InChIInChI=1S/C15H14BrF2NO/c1-2-20-15-8-12(17)5-6-14(15)19-9-10-3-4-11(16)7-13(10)18/h3-8,19H,2,9H2,1H3
InChIKeyFRJNOXASKNAREK-UHFFFAOYSA-N
MW342.18 g/mol
LogP4.74
Rot. Bonds5

About N-[(4-bromo-2-fluorophenyl)methyl]-2-ethoxy-4-fluoroaniline

N-[(4-bromo-2-fluorophenyl)methyl]-2-ethoxy-4-fluoroaniline (PubChem CID 43730106) has the molecular formula C15H14BrF2NO and a molecular weight of 342.18 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)methyl]-2-ethoxy-4-fluoroaniline.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)methyl]-2-ethoxy-4-fluoroaniline
PubChem CID43730106
Molecular FormulaC15H14BrF2NO
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC NameN-[(4-bromo-2-fluorophenyl)methyl]-2-ethoxy-4-fluoroaniline
SMILESCCOc1cc(F)ccc1NCc1ccc(Br)cc1F
InChIInChI=1S/C15H14BrF2NO/c1-2-20-15-8-12(17)5-6-14(15)19-9-10-3-4-11(16)7-13(10)18/h3-8,19H,2,9H2,1H3
InChIKeyFRJNOXASKNAREK-UHFFFAOYSA-N
XLogP4.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-2-fluorophenyl)methyl]-5-chloro-2-ethoxyaniline
CID 63450944
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-2-methoxyaniline
CID 60960603
2-ethoxy-4-fluoro-N-[(2-methylphenyl)methyl]aniline
CID 43730030
N-[(2,6-difluorophenyl)methyl]-2-ethoxy-4-fluoroaniline
CID 43730035
N-[(2-aminophenyl)methyl]-2-ethoxy-4-fluoroaniline
CID 66418425
4-bromo-1-N-[(2,4-difluorophenyl)methyl]benzene-1,2-diamine
CID 62227743
2-ethoxy-4-fluoro-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657227
N-[(3-bromothiophen-2-yl)methyl]-2-ethoxy-4-fluoroaniline
CID 115380053
2-ethoxy-4-fluoro-N-propylaniline
CID 43730181
5-bromo-N-(2,4-difluorophenyl)-2-ethoxybenzenesulfonamide
CID 2488065
2-bromo-4-[(2-ethoxy-4-fluoroanilino)methyl]phenol
CID 63047094
N-[(2,4-difluorophenyl)methyl]-4-ethoxy-3-fluoroaniline
CID 115587219

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-2-ethoxy-4-fluoroaniline?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-2-ethoxy-4-fluoroaniline (CID 43730106) is N-[(4-bromo-2-fluorophenyl)methyl]-2-ethoxy-4-fluoroaniline.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)methyl]-2-ethoxy-4-fluoroaniline?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)methyl]-2-ethoxy-4-fluoroaniline is CCOc1cc(F)ccc1NCc1ccc(Br)cc1F.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)methyl]-2-ethoxy-4-fluoroaniline?
The InChIKey is FRJNOXASKNAREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO/c1-2-20-15-8-12(17)5-6-14(15)19-9-10-3-4-11(16)7-13(10)18/h3-8,19H,2,9H2,1H3.
What are the key properties of N-[(4-bromo-2-fluorophenyl)methyl]-2-ethoxy-4-fluoroaniline?
N-[(4-bromo-2-fluorophenyl)methyl]-2-ethoxy-4-fluoroaniline has a molecular weight of 342.18 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluorophenyl)methyl]-2-ethoxy-4-fluoroaniline is sourced from PubChem (CID 43730106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).