4-bromo-N-[(3,5-difluorophenyl)methyl]-5-fluoro-2-methylaniline

C14H11BrF3N — CID 105403343

IUPAC4-bromo-N-[(3,5-difluorophenyl)methyl]-5-fluoro-2-methylaniline
SMILESCc1cc(Br)c(F)cc1NCc1cc(F)cc(F)c1
InChIInChI=1S/C14H11BrF3N/c1-8-2-12(15)13(18)6-14(8)19-7-9-3-10(16)5-11(17)4-9/h2-6,19H,7H2,1H3
InChIKeyBZHXYQSBVJXQRX-UHFFFAOYSA-N
MW330.15 g/mol
LogP4.79
Rot. Bonds3

About 4-bromo-N-[(3,5-difluorophenyl)methyl]-5-fluoro-2-methylaniline

4-bromo-N-[(3,5-difluorophenyl)methyl]-5-fluoro-2-methylaniline (PubChem CID 105403343) has the molecular formula C14H11BrF3N and a molecular weight of 330.15 g/mol. Its IUPAC name is 4-bromo-N-[(3,5-difluorophenyl)methyl]-5-fluoro-2-methylaniline.

Molecular Properties

Compound Name4-bromo-N-[(3,5-difluorophenyl)methyl]-5-fluoro-2-methylaniline
PubChem CID105403343
Molecular FormulaC14H11BrF3N
Molecular Weight330.15 g/mol
Exact Mass329.00
IUPAC Name4-bromo-N-[(3,5-difluorophenyl)methyl]-5-fluoro-2-methylaniline
SMILESCc1cc(Br)c(F)cc1NCc1cc(F)cc(F)c1
InChIInChI=1S/C14H11BrF3N/c1-8-2-12(15)13(18)6-14(8)19-7-9-3-10(16)5-11(17)4-9/h2-6,19H,7H2,1H3
InChIKeyBZHXYQSBVJXQRX-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.15
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(5-bromo-4-fluoro-2-methylanilino)methyl]-5-fluorophenol
CID 107591256
5-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-4-fluoro-2-methylaniline
CID 107591598
5-bromo-4-fluoro-2-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline
CID 107591833
5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-4-fluoro-2-methylaniline
CID 107591449
5-bromo-4-fluoro-2-methyl-N-(naphthalen-2-ylmethyl)aniline
CID 107591565
4-bromo-2,5-difluoro-N-[(4-fluoro-2-methylphenyl)methyl]aniline
CID 107609530
N-[(3-bromo-4-fluorophenyl)methyl]-4-chloro-2-methylaniline
CID 30059054
2-bromo-N-[(3,5-difluorophenyl)methyl]-5-methoxyaniline
CID 105403175
5-bromo-N-[(2,5-difluorophenyl)methyl]-4-fluoro-2-methylaniline
CID 107591672
N-[(3-bromo-4-fluorophenyl)methyl]-2,3,5-trifluoroaniline
CID 62809903
N-[(3,5-difluorophenyl)methyl]-2,4-dimethyl-5-nitroaniline
CID 106528446
N-[(3-bromo-5-fluorophenyl)methyl]-2-methylaniline
CID 79710755

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(3,5-difluorophenyl)methyl]-5-fluoro-2-methylaniline?
The IUPAC name of 4-bromo-N-[(3,5-difluorophenyl)methyl]-5-fluoro-2-methylaniline (CID 105403343) is 4-bromo-N-[(3,5-difluorophenyl)methyl]-5-fluoro-2-methylaniline.
What is the SMILES notation for 4-bromo-N-[(3,5-difluorophenyl)methyl]-5-fluoro-2-methylaniline?
The canonical SMILES for 4-bromo-N-[(3,5-difluorophenyl)methyl]-5-fluoro-2-methylaniline is Cc1cc(Br)c(F)cc1NCc1cc(F)cc(F)c1.
What is the InChIKey of 4-bromo-N-[(3,5-difluorophenyl)methyl]-5-fluoro-2-methylaniline?
The InChIKey is BZHXYQSBVJXQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3N/c1-8-2-12(15)13(18)6-14(8)19-7-9-3-10(16)5-11(17)4-9/h2-6,19H,7H2,1H3.
What are the key properties of 4-bromo-N-[(3,5-difluorophenyl)methyl]-5-fluoro-2-methylaniline?
4-bromo-N-[(3,5-difluorophenyl)methyl]-5-fluoro-2-methylaniline has a molecular weight of 330.15 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(3,5-difluorophenyl)methyl]-5-fluoro-2-methylaniline is sourced from PubChem (CID 105403343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).