N-benzyl-4-bromo-3,5-dimethylaniline

C15H16BrN — CID 107572244

IUPACN-benzyl-4-bromo-3,5-dimethylaniline
SMILESCc1cc(NCc2ccccc2)cc(C)c1Br
InChIInChI=1S/C15H16BrN/c1-11-8-14(9-12(2)15(11)16)17-10-13-6-4-3-5-7-13/h3-9,17H,10H2,1-2H3
InChIKeySWUAGDNEZYNTDZ-UHFFFAOYSA-N
MW290.20 g/mol
LogP4.68
Rot. Bonds3

About N-benzyl-4-bromo-3,5-dimethylaniline

N-benzyl-4-bromo-3,5-dimethylaniline (PubChem CID 107572244) has the molecular formula C15H16BrN and a molecular weight of 290.20 g/mol. Its IUPAC name is N-benzyl-4-bromo-3,5-dimethylaniline.

Molecular Properties

Compound NameN-benzyl-4-bromo-3,5-dimethylaniline
PubChem CID107572244
Molecular FormulaC15H16BrN
Molecular Weight290.20 g/mol
Exact Mass289.05
IUPAC NameN-benzyl-4-bromo-3,5-dimethylaniline
SMILESCc1cc(NCc2ccccc2)cc(C)c1Br
InChIInChI=1S/C15H16BrN/c1-11-8-14(9-12(2)15(11)16)17-10-13-6-4-3-5-7-13/h3-9,17H,10H2,1-2H3
InChIKeySWUAGDNEZYNTDZ-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[(4-bromophenyl)methyl]-3,5-dimethylaniline
CID 107572070
4-bromo-3,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 107571843
4-bromo-N-[[4-(methoxymethyl)phenyl]methyl]-3,5-dimethylaniline
CID 107571721
N-benzyl-3,5-dibromoaniline
CID 10640949
2-[2-[(4-bromo-3,5-dimethylanilino)methyl]phenyl]acetic acid
CID 107573710
4-bromo-3,5-dimethyl-N-[(3-nitrophenyl)methyl]aniline
CID 107571686
4-bromo-N-[(2,3-dimethylphenyl)methyl]-3,5-dimethylaniline
CID 107572266
N-(1,3-benzothiazol-2-ylmethyl)-4-bromo-3,5-dimethylaniline
CID 107573635
2-[(4-bromo-3,5-dimethylanilino)methyl]benzonitrile
CID 107936050
N-[(4-bromo-3-methylphenyl)methyl]aniline
CID 66472770
N-benzyl-3-chloro-4-methylaniline
CID 18778604
4-bromo-3,5-dimethyl-N-(2-phenoxyethyl)aniline
CID 107573411

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-bromo-3,5-dimethylaniline?
The IUPAC name of N-benzyl-4-bromo-3,5-dimethylaniline (CID 107572244) is N-benzyl-4-bromo-3,5-dimethylaniline.
What is the SMILES notation for N-benzyl-4-bromo-3,5-dimethylaniline?
The canonical SMILES for N-benzyl-4-bromo-3,5-dimethylaniline is Cc1cc(NCc2ccccc2)cc(C)c1Br.
What is the InChIKey of N-benzyl-4-bromo-3,5-dimethylaniline?
The InChIKey is SWUAGDNEZYNTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN/c1-11-8-14(9-12(2)15(11)16)17-10-13-6-4-3-5-7-13/h3-9,17H,10H2,1-2H3.
What are the key properties of N-benzyl-4-bromo-3,5-dimethylaniline?
N-benzyl-4-bromo-3,5-dimethylaniline has a molecular weight of 290.20 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-bromo-3,5-dimethylaniline is sourced from PubChem (CID 107572244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).