N-[(2-bromophenyl)methyl]-2,6-dimethylaniline

C15H16BrN — CID 55024912

IUPACN-[(2-bromophenyl)methyl]-2,6-dimethylaniline
SMILESCc1cccc(C)c1NCc1ccccc1Br
InChIInChI=1S/C15H16BrN/c1-11-6-5-7-12(2)15(11)17-10-13-8-3-4-9-14(13)16/h3-9,17H,10H2,1-2H3
InChIKeyQHOYPOXIBLLQGJ-UHFFFAOYSA-N
MW290.20 g/mol
LogP4.68
Rot. Bonds3

About N-[(2-bromophenyl)methyl]-2,6-dimethylaniline

N-[(2-bromophenyl)methyl]-2,6-dimethylaniline (PubChem CID 55024912) has the molecular formula C15H16BrN and a molecular weight of 290.20 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2,6-dimethylaniline.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2,6-dimethylaniline
PubChem CID55024912
Molecular FormulaC15H16BrN
Molecular Weight290.20 g/mol
Exact Mass289.05
IUPAC NameN-[(2-bromophenyl)methyl]-2,6-dimethylaniline
SMILESCc1cccc(C)c1NCc1ccccc1Br
InChIInChI=1S/C15H16BrN/c1-11-6-5-7-12(2)15(11)17-10-13-8-3-4-9-14(13)16/h3-9,17H,10H2,1-2H3
InChIKeyQHOYPOXIBLLQGJ-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

2-[(2,6-dimethylanilino)methyl]phenol
CID 4863460
N-[(2-bromophenyl)methyl]-2,6-difluoroaniline
CID 28879071
4-bromo-N-[(2-bromophenyl)methyl]-3-methylaniline
CID 28537521
2-[(2,6-dimethylanilino)methyl]benzonitrile
CID 60688762
4-bromo-N-[(2-bromophenyl)methyl]-2-methoxy-6-methylaniline
CID 55193869
N-[(2-bromophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547216
methyl 3-bromo-4-[(2,6-dimethylanilino)methyl]benzoate
CID 102766636
2,4,6-tribromo-N-[(2,3-dimethylphenyl)methyl]aniline
CID 63425775
N-[(2-bromophenyl)methyl]-4-methylthiophen-3-amine
CID 115751803
N-[(2-bromophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 78910561
2-[(2-bromophenyl)methylamino]-4,6-dimethylphenol
CID 135038178
2-bromo-N-(2-ethyl-6-methylphenyl)benzenesulfonamide
CID 26952400

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2,6-dimethylaniline?
The IUPAC name of N-[(2-bromophenyl)methyl]-2,6-dimethylaniline (CID 55024912) is N-[(2-bromophenyl)methyl]-2,6-dimethylaniline.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2,6-dimethylaniline?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2,6-dimethylaniline is Cc1cccc(C)c1NCc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2,6-dimethylaniline?
The InChIKey is QHOYPOXIBLLQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN/c1-11-6-5-7-12(2)15(11)17-10-13-8-3-4-9-14(13)16/h3-9,17H,10H2,1-2H3.
What are the key properties of N-[(2-bromophenyl)methyl]-2,6-dimethylaniline?
N-[(2-bromophenyl)methyl]-2,6-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-[(2-bromophenyl)methyl]-2,6-dimethylaniline is sourced from PubChem (CID 55024912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).