N-benzyl-4-bromo-N-methylaniline

C14H14BrN — CID 22347392

IUPACN-benzyl-4-bromo-N-methylaniline
SMILESCN(Cc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C14H14BrN/c1-16(11-12-5-3-2-4-6-12)14-9-7-13(15)8-10-14/h2-10H,11H2,1H3
InChIKeyRAWUELVOTRQMCM-UHFFFAOYSA-N
MW276.18 g/mol
LogP4.09
Rot. Bonds3

About N-benzyl-4-bromo-N-methylaniline

N-benzyl-4-bromo-N-methylaniline (PubChem CID 22347392) has the molecular formula C14H14BrN and a molecular weight of 276.18 g/mol. Its IUPAC name is N-benzyl-4-bromo-N-methylaniline.

Molecular Properties

Compound NameN-benzyl-4-bromo-N-methylaniline
PubChem CID22347392
Molecular FormulaC14H14BrN
Molecular Weight276.18 g/mol
Exact Mass275.03
IUPAC NameN-benzyl-4-bromo-N-methylaniline
SMILESCN(Cc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C14H14BrN/c1-16(11-12-5-3-2-4-6-12)14-9-7-13(15)8-10-14/h2-10H,11H2,1H3
InChIKeyRAWUELVOTRQMCM-UHFFFAOYSA-N
XLogP4.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-benzyl-4-bromo-N-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Ethyl-N-benzylaniline
CID 7098
4-bromo-N,N-dimethylaniline
CID 11465
Benzenamine, 4-bromo-N,N-diethyl-
CID 16328
N-Benzyl-N-ethyl-m-toluidine
CID 67076
N-Methyl-N-phenylbenzylamine
CID 69191
Benzenemethanaminium, N,N-dimethyl-N-phenyl-, chloride (1:1)
CID 76668
N-benzyl-4-bromoaniline
CID 961575
n,n-Dibenzyl-4-bromoaniline
CID 285423
4-(4-Bromophenylazo)-N,N-diethylaniline
CID 2801794
4-bromo-N,N,2,6-tetramethylaniline
CID 142731
1-(4-Bromophenyl)piperidine
CID 7016460
N-Benzyl-3-bromoaniline
CID 9965096

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-bromo-N-methylaniline?
The IUPAC name of N-benzyl-4-bromo-N-methylaniline (CID 22347392) is N-benzyl-4-bromo-N-methylaniline.
What is the SMILES notation for N-benzyl-4-bromo-N-methylaniline?
The canonical SMILES for N-benzyl-4-bromo-N-methylaniline is CN(Cc1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of N-benzyl-4-bromo-N-methylaniline?
The InChIKey is RAWUELVOTRQMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN/c1-16(11-12-5-3-2-4-6-12)14-9-7-13(15)8-10-14/h2-10H,11H2,1H3.
What are the key properties of N-benzyl-4-bromo-N-methylaniline?
N-benzyl-4-bromo-N-methylaniline has a molecular weight of 276.18 g/mol, XLogP of 4.09, 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-N-methylaniline is sourced from PubChem (CID 22347392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).