N-benzyl-4-bromo-2-fluoro-N-methylaniline

C14H13BrFN — CID 130055990

IUPACN-benzyl-4-bromo-2-fluoro-N-methylaniline
SMILESCN(Cc1ccccc1)c1ccc(Br)cc1F
InChIInChI=1S/C14H13BrFN/c1-17(10-11-5-3-2-4-6-11)14-8-7-12(15)9-13(14)16/h2-9H,10H2,1H3
InChIKeyZOGAHHYKJFURIE-UHFFFAOYSA-N
MW294.17 g/mol
LogP4.22
Rot. Bonds3

About N-benzyl-4-bromo-2-fluoro-N-methylaniline

N-benzyl-4-bromo-2-fluoro-N-methylaniline (PubChem CID 130055990) has the molecular formula C14H13BrFN and a molecular weight of 294.17 g/mol. Its IUPAC name is N-benzyl-4-bromo-2-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-benzyl-4-bromo-2-fluoro-N-methylaniline
PubChem CID130055990
Molecular FormulaC14H13BrFN
Molecular Weight294.17 g/mol
Exact Mass293.02
IUPAC NameN-benzyl-4-bromo-2-fluoro-N-methylaniline
SMILESCN(Cc1ccccc1)c1ccc(Br)cc1F
InChIInChI=1S/C14H13BrFN/c1-17(10-11-5-3-2-4-6-11)14-8-7-12(15)9-13(14)16/h2-9H,10H2,1H3
InChIKeyZOGAHHYKJFURIE-UHFFFAOYSA-N
XLogP4.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.17
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-Ethyl-N-benzylaniline
CID 7098
4-bromo-N,N-dimethylaniline
CID 11465
Benzenamine, 4-bromo-N,N-diethyl-
CID 16328
N-Methyl-N-phenylbenzylamine
CID 69191
N-benzyl-4-bromoaniline
CID 961575
n,n-Dibenzyl-4-bromoaniline
CID 285423
1-(4-Bromophenyl)piperidine
CID 7016460
N-Benzyl-3-bromoaniline
CID 9965096
4-Bromo-N,N,3-trimethylaniline
CID 12385715
4-bromo-N-(4-methylbenzyl)aniline
CID 292569
N,N-diethyl-4-[(E)-2-(2-fluorophenyl)ethenyl]aniline
CID 51039204
1-(3-Bromobenzyl)-4-phenylpiperazine
CID 763885

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-bromo-2-fluoro-N-methylaniline?
The IUPAC name of N-benzyl-4-bromo-2-fluoro-N-methylaniline (CID 130055990) is N-benzyl-4-bromo-2-fluoro-N-methylaniline.
What is the SMILES notation for N-benzyl-4-bromo-2-fluoro-N-methylaniline?
The canonical SMILES for N-benzyl-4-bromo-2-fluoro-N-methylaniline is CN(Cc1ccccc1)c1ccc(Br)cc1F.
What is the InChIKey of N-benzyl-4-bromo-2-fluoro-N-methylaniline?
The InChIKey is ZOGAHHYKJFURIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN/c1-17(10-11-5-3-2-4-6-11)14-8-7-12(15)9-13(14)16/h2-9H,10H2,1H3.
What are the key properties of N-benzyl-4-bromo-2-fluoro-N-methylaniline?
N-benzyl-4-bromo-2-fluoro-N-methylaniline has a molecular weight of 294.17 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-bromo-2-fluoro-N-methylaniline is sourced from PubChem (CID 130055990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).