N-[(4-bromophenyl)methyl]-2,6-difluoroaniline

C13H10BrF2N — CID 28879011

IUPACN-[(4-bromophenyl)methyl]-2,6-difluoroaniline
SMILESFc1cccc(F)c1NCc1ccc(Br)cc1
InChIInChI=1S/C13H10BrF2N/c14-10-6-4-9(5-7-10)8-17-13-11(15)2-1-3-12(13)16/h1-7,17H,8H2
InChIKeyBJMCEGFWGQVGTP-UHFFFAOYSA-N
MW298.13 g/mol
LogP4.34
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-2,6-difluoroaniline

N-[(4-bromophenyl)methyl]-2,6-difluoroaniline (PubChem CID 28879011) has the molecular formula C13H10BrF2N and a molecular weight of 298.13 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2,6-difluoroaniline.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2,6-difluoroaniline
PubChem CID28879011
Molecular FormulaC13H10BrF2N
Molecular Weight298.13 g/mol
Exact Mass297.00
IUPAC NameN-[(4-bromophenyl)methyl]-2,6-difluoroaniline
SMILESFc1cccc(F)c1NCc1ccc(Br)cc1
InChIInChI=1S/C13H10BrF2N/c14-10-6-4-9(5-7-10)8-17-13-11(15)2-1-3-12(13)16/h1-7,17H,8H2
InChIKeyBJMCEGFWGQVGTP-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 43093210
N-benzyl-4-bromo-2,6-difluoroaniline
CID 65469115
1-[(4-bromophenyl)methyl]-3-(2,6-difluorophenyl)urea
CID 108899456
N-[(3-bromo-4-methoxyphenyl)methyl]-2,6-difluoroaniline
CID 43229828
2,6-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63644666
2,6-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 62121783
N-[(3-bromo-5-nitrophenyl)methyl]-2,6-difluoroaniline
CID 103350543
N-[(2-bromophenyl)methyl]-2,6-difluoroaniline
CID 28879071
N-[(4-bromophenyl)methyl]-2,4,5-trifluoroaniline
CID 62815003
N-[(4-bromophenyl)methyl]-2-fluoro-3-methylaniline
CID 114254482
N-[(4-bromophenyl)methyl]-2-(ethylamino)-3-fluorobenzamide
CID 62649718
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-2,6-difluoroaniline
CID 43773097

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2,6-difluoroaniline?
The IUPAC name of N-[(4-bromophenyl)methyl]-2,6-difluoroaniline (CID 28879011) is N-[(4-bromophenyl)methyl]-2,6-difluoroaniline.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2,6-difluoroaniline?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2,6-difluoroaniline is Fc1cccc(F)c1NCc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2,6-difluoroaniline?
The InChIKey is BJMCEGFWGQVGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2N/c14-10-6-4-9(5-7-10)8-17-13-11(15)2-1-3-12(13)16/h1-7,17H,8H2.
What are the key properties of N-[(4-bromophenyl)methyl]-2,6-difluoroaniline?
N-[(4-bromophenyl)methyl]-2,6-difluoroaniline has a molecular weight of 298.13 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2,6-difluoroaniline is sourced from PubChem (CID 28879011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).