2-bromo-N-[(2-ethoxyphenyl)methyl]-6-fluoroaniline

C15H15BrFNO — CID 107598496

IUPAC2-bromo-N-[(2-ethoxyphenyl)methyl]-6-fluoroaniline
SMILESCCOc1ccccc1CNc1c(F)cccc1Br
InChIInChI=1S/C15H15BrFNO/c1-2-19-14-9-4-3-6-11(14)10-18-15-12(16)7-5-8-13(15)17/h3-9,18H,2,10H2,1H3
InChIKeyDABGMJHLDFCURK-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.60
Rot. Bonds5

About 2-bromo-N-[(2-ethoxyphenyl)methyl]-6-fluoroaniline

2-bromo-N-[(2-ethoxyphenyl)methyl]-6-fluoroaniline (PubChem CID 107598496) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 2-bromo-N-[(2-ethoxyphenyl)methyl]-6-fluoroaniline.

Molecular Properties

Compound Name2-bromo-N-[(2-ethoxyphenyl)methyl]-6-fluoroaniline
PubChem CID107598496
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name2-bromo-N-[(2-ethoxyphenyl)methyl]-6-fluoroaniline
SMILESCCOc1ccccc1CNc1c(F)cccc1Br
InChIInChI=1S/C15H15BrFNO/c1-2-19-14-9-4-3-6-11(14)10-18-15-12(16)7-5-8-13(15)17/h3-9,18H,2,10H2,1H3
InChIKeyDABGMJHLDFCURK-UHFFFAOYSA-N
XLogP4.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-2,6-difluoroaniline
CID 28879073
2-[(2,6-dibromoanilino)methyl]-6-ethoxyphenol
CID 107597220
2-bromo-N-[(2,3-difluorophenyl)methyl]-6-fluoroaniline
CID 107598130
2-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]-6-fluoroaniline
CID 107597890
N-[(2-bromophenyl)methyl]-2,6-difluoroaniline
CID 28879071
2-chloro-N-[(2-ethoxyphenyl)methyl]-4,6-difluoroaniline
CID 83082100
N-[(2-ethoxyphenyl)methyl]-3-fluoroaniline
CID 23793082
2-bromo-N-[(2-cyclopropylphenyl)methyl]-6-fluoroaniline
CID 107598245
2-bromo-6-fluoro-N-[(2-nitrophenyl)methyl]aniline
CID 103741870
2-bromo-6-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 107597883
2-bromo-6-fluoro-N-(quinolin-4-ylmethyl)aniline
CID 107598558
N-[(2-ethoxyphenyl)methyl]-2,5-difluoro-4-methylaniline
CID 103585263

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2-ethoxyphenyl)methyl]-6-fluoroaniline?
The IUPAC name of 2-bromo-N-[(2-ethoxyphenyl)methyl]-6-fluoroaniline (CID 107598496) is 2-bromo-N-[(2-ethoxyphenyl)methyl]-6-fluoroaniline.
What is the SMILES notation for 2-bromo-N-[(2-ethoxyphenyl)methyl]-6-fluoroaniline?
The canonical SMILES for 2-bromo-N-[(2-ethoxyphenyl)methyl]-6-fluoroaniline is CCOc1ccccc1CNc1c(F)cccc1Br.
What is the InChIKey of 2-bromo-N-[(2-ethoxyphenyl)methyl]-6-fluoroaniline?
The InChIKey is DABGMJHLDFCURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-2-19-14-9-4-3-6-11(14)10-18-15-12(16)7-5-8-13(15)17/h3-9,18H,2,10H2,1H3.
What are the key properties of 2-bromo-N-[(2-ethoxyphenyl)methyl]-6-fluoroaniline?
2-bromo-N-[(2-ethoxyphenyl)methyl]-6-fluoroaniline has a molecular weight of 324.19 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2-ethoxyphenyl)methyl]-6-fluoroaniline is sourced from PubChem (CID 107598496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).