N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoro-4-methylaniline

C15H14BrF2N — CID 82964740

IUPACN-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoro-4-methylaniline
SMILESCc1ccc(NC(C)c2cc(Br)ccc2F)c(F)c1
InChIInChI=1S/C15H14BrF2N/c1-9-3-6-15(14(18)7-9)19-10(2)12-8-11(16)4-5-13(12)17/h3-8,10,19H,1-2H3
InChIKeySVTANZDUFADGHW-UHFFFAOYSA-N
MW326.18 g/mol
LogP5.21
Rot. Bonds3

About N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoro-4-methylaniline

N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoro-4-methylaniline (PubChem CID 82964740) has the molecular formula C15H14BrF2N and a molecular weight of 326.18 g/mol. Its IUPAC name is N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoro-4-methylaniline.

Molecular Properties

Compound NameN-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoro-4-methylaniline
PubChem CID82964740
Molecular FormulaC15H14BrF2N
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC NameN-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoro-4-methylaniline
SMILESCc1ccc(NC(C)c2cc(Br)ccc2F)c(F)c1
InChIInChI=1S/C15H14BrF2N/c1-9-3-6-15(14(18)7-9)19-10(2)12-8-11(16)4-5-13(12)17/h3-8,10,19H,1-2H3
InChIKeySVTANZDUFADGHW-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.18
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-ethoxy-4-methylaniline
CID 82964942
5-bromo-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoroaniline
CID 82963196
N-[1-(2,5-dimethylphenyl)ethyl]-2-fluoro-4-methylaniline
CID 43114183
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-chloro-4-methylaniline
CID 82963042
4-bromo-N-[1-(2,4-dibromophenyl)ethyl]-2-fluoroaniline
CID 60781277
2-[1-(2-fluoro-4-methylanilino)ethyl]-5-methylphenol
CID 43114127
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-iodoaniline
CID 82962732
4-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-fluoroaniline
CID 43111824
N-[1-(5-bromo-2-fluorophenyl)ethyl]-4-fluoro-3-methylaniline
CID 82964329
2-fluoro-4-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43114236
4-bromo-N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-methylaniline
CID 82962050
2-fluoro-4-methyl-N-(1-phenylethyl)aniline
CID 43088352

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoro-4-methylaniline?
The IUPAC name of N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoro-4-methylaniline (CID 82964740) is N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoro-4-methylaniline.
What is the SMILES notation for N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoro-4-methylaniline?
The canonical SMILES for N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoro-4-methylaniline is Cc1ccc(NC(C)c2cc(Br)ccc2F)c(F)c1.
What is the InChIKey of N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoro-4-methylaniline?
The InChIKey is SVTANZDUFADGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2N/c1-9-3-6-15(14(18)7-9)19-10(2)12-8-11(16)4-5-13(12)17/h3-8,10,19H,1-2H3.
What are the key properties of N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoro-4-methylaniline?
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoro-4-methylaniline has a molecular weight of 326.18 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoro-4-methylaniline is sourced from PubChem (CID 82964740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).