2-bromo-3-chloro-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]aniline

C15H13BrClF2N — CID 103478414

IUPAC2-bromo-3-chloro-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]aniline
SMILESCc1cc(F)c(C(C)Nc2cccc(Cl)c2Br)cc1F
InChIInChI=1S/C15H13BrClF2N/c1-8-6-13(19)10(7-12(8)18)9(2)20-14-5-3-4-11(17)15(14)16/h3-7,9,20H,1-2H3
InChIKeyMUVXXOVMFBPDEI-UHFFFAOYSA-N
MW360.63 g/mol
LogP5.86
Rot. Bonds3

About 2-bromo-3-chloro-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]aniline

2-bromo-3-chloro-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]aniline (PubChem CID 103478414) has the molecular formula C15H13BrClF2N and a molecular weight of 360.63 g/mol. Its IUPAC name is 2-bromo-3-chloro-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]aniline.

Molecular Properties

Compound Name2-bromo-3-chloro-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]aniline
PubChem CID103478414
Molecular FormulaC15H13BrClF2N
Molecular Weight360.63 g/mol
Exact Mass358.99
IUPAC Name2-bromo-3-chloro-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]aniline
SMILESCc1cc(F)c(C(C)Nc2cccc(Cl)c2Br)cc1F
InChIInChI=1S/C15H13BrClF2N/c1-8-6-13(19)10(7-12(8)18)9(2)20-14-5-3-4-11(17)15(14)16/h3-7,9,20H,1-2H3
InChIKeyMUVXXOVMFBPDEI-UHFFFAOYSA-N
XLogP5.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.63
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-3-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline
CID 103478123
2-bromo-3-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 103477851
2-bromo-3-chloro-N-[1-(3,4-difluorophenyl)ethyl]aniline
CID 103477852
2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-3-chloroaniline
CID 103478235
5-bromo-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]-2,4-difluoroaniline
CID 102852987
2-bromo-3-chloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 103478545
2-bromo-3-chloro-N-propan-2-ylaniline
CID 103478632
2-bromo-N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-methylaniline
CID 83069708
3-[1-(2-bromo-3-chloroanilino)ethyl]phenol
CID 103477986
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-chloro-6-methylaniline
CID 82963733
N-(2-bromo-3-chlorophenyl)-2,4-difluoro-5-methylbenzamide
CID 103480092
5-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline
CID 107591660

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]aniline?
The IUPAC name of 2-bromo-3-chloro-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]aniline (CID 103478414) is 2-bromo-3-chloro-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]aniline.
What is the SMILES notation for 2-bromo-3-chloro-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]aniline?
The canonical SMILES for 2-bromo-3-chloro-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]aniline is Cc1cc(F)c(C(C)Nc2cccc(Cl)c2Br)cc1F.
What is the InChIKey of 2-bromo-3-chloro-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]aniline?
The InChIKey is MUVXXOVMFBPDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClF2N/c1-8-6-13(19)10(7-12(8)18)9(2)20-14-5-3-4-11(17)15(14)16/h3-7,9,20H,1-2H3.
What are the key properties of 2-bromo-3-chloro-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]aniline?
2-bromo-3-chloro-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]aniline has a molecular weight of 360.63 g/mol, XLogP of 5.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]aniline is sourced from PubChem (CID 103478414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).