4-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2,6-difluoroaniline

C15H15BrF2N2 — CID 65468507

IUPAC4-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2,6-difluoroaniline
SMILESCN(C)c1ccc(CNc2c(F)cc(Br)cc2F)cc1
InChIInChI=1S/C15H15BrF2N2/c1-20(2)12-5-3-10(4-6-12)9-19-15-13(17)7-11(16)8-14(15)18/h3-8,19H,9H2,1-2H3
InChIKeyQTYBHQXAQLOLHY-UHFFFAOYSA-N
MW341.20 g/mol
LogP4.41
Rot. Bonds4

About 4-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2,6-difluoroaniline

4-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2,6-difluoroaniline (PubChem CID 65468507) has the molecular formula C15H15BrF2N2 and a molecular weight of 341.20 g/mol. Its IUPAC name is 4-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2,6-difluoroaniline.

Molecular Properties

Compound Name4-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2,6-difluoroaniline
PubChem CID65468507
Molecular FormulaC15H15BrF2N2
Molecular Weight341.20 g/mol
Exact Mass340.04
IUPAC Name4-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2,6-difluoroaniline
SMILESCN(C)c1ccc(CNc2c(F)cc(Br)cc2F)cc1
InChIInChI=1S/C15H15BrF2N2/c1-20(2)12-5-3-10(4-6-12)9-19-15-13(17)7-11(16)8-14(15)18/h3-8,19H,9H2,1-2H3
InChIKeyQTYBHQXAQLOLHY-UHFFFAOYSA-N
XLogP4.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-4-bromo-2,6-difluoroaniline
CID 65469115
4-bromo-N-[(3-chloro-4-methylphenyl)methyl]-2,6-difluoroaniline
CID 106816892
N-[(4-bromophenyl)methyl]-2,6-difluoroaniline
CID 28879011
1-(4-bromo-2-fluorophenyl)-3-[[4-(dimethylamino)phenyl]methyl]urea
CID 51290448
4-bromo-2,6-difluoro-N-[(4-methyl-3-nitrophenyl)methyl]aniline
CID 65467344
4-N,4-N-dimethyl-1-N-[(3,4,5-trifluorophenyl)methyl]benzene-1,4-diamine
CID 63050848
5-[(4-bromo-2,6-difluoroanilino)methyl]-2-methoxybenzonitrile
CID 65468920
4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65467746
4-[[4-(dimethylamino)anilino]methyl]-2,6-difluorophenol
CID 79891482
5-[(4-bromo-2,6-difluoroanilino)methyl]-N,N,1-trimethylimidazol-2-amine
CID 65469299
1-N-[(4-bromo-3-fluorophenyl)methyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 81436141
2-[(4-bromo-2,6-difluoroanilino)methyl]phenol
CID 65468718

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2,6-difluoroaniline?
The IUPAC name of 4-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2,6-difluoroaniline (CID 65468507) is 4-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2,6-difluoroaniline.
What is the SMILES notation for 4-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2,6-difluoroaniline?
The canonical SMILES for 4-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2,6-difluoroaniline is CN(C)c1ccc(CNc2c(F)cc(Br)cc2F)cc1.
What is the InChIKey of 4-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2,6-difluoroaniline?
The InChIKey is QTYBHQXAQLOLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrF2N2/c1-20(2)12-5-3-10(4-6-12)9-19-15-13(17)7-11(16)8-14(15)18/h3-8,19H,9H2,1-2H3.
What are the key properties of 4-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2,6-difluoroaniline?
4-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2,6-difluoroaniline has a molecular weight of 341.20 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2,6-difluoroaniline is sourced from PubChem (CID 65468507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).