4-(bromomethyl)-N-ethyl-2,6-difluoro-N-(4-methylphenyl)aniline

C16H16BrF2N — CID 107082552

IUPAC4-(bromomethyl)-N-ethyl-2,6-difluoro-N-(4-methylphenyl)aniline
SMILESCCN(c1ccc(C)cc1)c1c(F)cc(CBr)cc1F
InChIInChI=1S/C16H16BrF2N/c1-3-20(13-6-4-11(2)5-7-13)16-14(18)8-12(10-17)9-15(16)19/h4-9H,3,10H2,1-2H3
InChIKeyNDVFXXJODREYME-UHFFFAOYSA-N
MW340.21 g/mol
LogP5.33
Rot. Bonds4

About 4-(bromomethyl)-N-ethyl-2,6-difluoro-N-(4-methylphenyl)aniline

4-(bromomethyl)-N-ethyl-2,6-difluoro-N-(4-methylphenyl)aniline (PubChem CID 107082552) has the molecular formula C16H16BrF2N and a molecular weight of 340.21 g/mol. Its IUPAC name is 4-(bromomethyl)-N-ethyl-2,6-difluoro-N-(4-methylphenyl)aniline.

Molecular Properties

Compound Name4-(bromomethyl)-N-ethyl-2,6-difluoro-N-(4-methylphenyl)aniline
PubChem CID107082552
Molecular FormulaC16H16BrF2N
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Name4-(bromomethyl)-N-ethyl-2,6-difluoro-N-(4-methylphenyl)aniline
SMILESCCN(c1ccc(C)cc1)c1c(F)cc(CBr)cc1F
InChIInChI=1S/C16H16BrF2N/c1-3-20(13-6-4-11(2)5-7-13)16-14(18)8-12(10-17)9-15(16)19/h4-9H,3,10H2,1-2H3
InChIKeyNDVFXXJODREYME-UHFFFAOYSA-N
XLogP5.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.21
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(bromomethyl)-2,6-difluoro-N-methyl-N-(3-methylphenyl)aniline
CID 107082587
4-[4-(bromomethyl)-2,6-difluoro-N-methylanilino]benzonitrile
CID 107083026
2-N-ethyl-4-fluoro-5-iodo-2-N-(4-methylphenyl)benzene-1,2-diamine
CID 66099523
4-(N-ethyl-4-methylanilino)-3-fluorobenzonitrile
CID 63511993
4-(bromomethyl)-N-ethyl-2,6-difluoro-N-(2-methoxyethyl)aniline
CID 107081493
2-(bromomethyl)-N-ethyl-4-fluoro-N-phenylaniline
CID 107079476
2-N-[4-(bromomethyl)-2,6-difluorophenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 107085530
2-(bromomethyl)-N-ethyl-6-fluoro-N-phenylaniline
CID 114067666
4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-(4-methylphenyl)aniline
CID 63368905
4-(bromomethyl)-N-cyclopentyl-2,6-difluoro-N-methylaniline
CID 107079915
4-(bromomethyl)-N,N-bis(2-ethoxyethyl)-2,6-difluoroaniline
CID 107084914
4-(bromomethyl)-N-(2,2-dimethylpropyl)-2,6-difluoro-N-methylaniline
CID 107082377

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-ethyl-2,6-difluoro-N-(4-methylphenyl)aniline?
The IUPAC name of 4-(bromomethyl)-N-ethyl-2,6-difluoro-N-(4-methylphenyl)aniline (CID 107082552) is 4-(bromomethyl)-N-ethyl-2,6-difluoro-N-(4-methylphenyl)aniline.
What is the SMILES notation for 4-(bromomethyl)-N-ethyl-2,6-difluoro-N-(4-methylphenyl)aniline?
The canonical SMILES for 4-(bromomethyl)-N-ethyl-2,6-difluoro-N-(4-methylphenyl)aniline is CCN(c1ccc(C)cc1)c1c(F)cc(CBr)cc1F.
What is the InChIKey of 4-(bromomethyl)-N-ethyl-2,6-difluoro-N-(4-methylphenyl)aniline?
The InChIKey is NDVFXXJODREYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2N/c1-3-20(13-6-4-11(2)5-7-13)16-14(18)8-12(10-17)9-15(16)19/h4-9H,3,10H2,1-2H3.
What are the key properties of 4-(bromomethyl)-N-ethyl-2,6-difluoro-N-(4-methylphenyl)aniline?
4-(bromomethyl)-N-ethyl-2,6-difluoro-N-(4-methylphenyl)aniline has a molecular weight of 340.21 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-ethyl-2,6-difluoro-N-(4-methylphenyl)aniline is sourced from PubChem (CID 107082552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).