N-benzyl-2-bromo-N,6-dimethylaniline

C15H16BrN — CID 91032005

IUPACN-benzyl-2-bromo-N,6-dimethylaniline
SMILESCc1cccc(Br)c1N(C)Cc1ccccc1
InChIInChI=1S/C15H16BrN/c1-12-7-6-10-14(16)15(12)17(2)11-13-8-4-3-5-9-13/h3-10H,11H2,1-2H3
InChIKeyDRFBTNHVIQTSSM-UHFFFAOYSA-N
MW290.20 g/mol
LogP4.39
Rot. Bonds3

About N-benzyl-2-bromo-N,6-dimethylaniline

N-benzyl-2-bromo-N,6-dimethylaniline (PubChem CID 91032005) has the molecular formula C15H16BrN and a molecular weight of 290.20 g/mol. Its IUPAC name is N-benzyl-2-bromo-N,6-dimethylaniline.

Molecular Properties

Compound NameN-benzyl-2-bromo-N,6-dimethylaniline
PubChem CID91032005
Molecular FormulaC15H16BrN
Molecular Weight290.20 g/mol
Exact Mass289.05
IUPAC NameN-benzyl-2-bromo-N,6-dimethylaniline
SMILESCc1cccc(Br)c1N(C)Cc1ccccc1
InChIInChI=1S/C15H16BrN/c1-12-7-6-10-14(16)15(12)17(2)11-13-8-4-3-5-9-13/h3-10H,11H2,1-2H3
InChIKeyDRFBTNHVIQTSSM-UHFFFAOYSA-N
XLogP4.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-N-[(2-bromophenyl)methyl]-2-N,3-dimethylbenzene-1,2-diamine
CID 113333707
2-(aminomethyl)-N-benzyl-3-bromo-N-methylaniline
CID 114879429
2-[(4-bromophenyl)methyl-methylamino]-3-methylbenzenecarboximidamide
CID 107110089
N-benzyl-8-bromo-N-methylquinazolin-2-amine
CID 165497774
2-[(5-bromothiophen-3-yl)methyl-methylamino]-3-methylbenzoic acid
CID 107112113
N-benzyl-2-(bromomethyl)-N-methylaniline
CID 107079172
2-N-[(4-methoxyphenyl)methyl]-2-N,3-dimethylbenzene-1,2-diamine
CID 115550202
2-(aminomethyl)-N,6-dimethyl-N-[(3-methylphenyl)methyl]aniline
CID 107105568
N-benzyl-N,2,5-trimethylaniline
CID 15439716
1-benzyl-2,2-dimethyl-1-(2-methylphenyl)hydrazine
CID 139743962
2-(aminomethyl)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 114879522
1-N-[(2-bromophenyl)methyl]-1-N,3-dimethylbenzene-1,2-diamine
CID 114041193

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-bromo-N,6-dimethylaniline?
The IUPAC name of N-benzyl-2-bromo-N,6-dimethylaniline (CID 91032005) is N-benzyl-2-bromo-N,6-dimethylaniline.
What is the SMILES notation for N-benzyl-2-bromo-N,6-dimethylaniline?
The canonical SMILES for N-benzyl-2-bromo-N,6-dimethylaniline is Cc1cccc(Br)c1N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-bromo-N,6-dimethylaniline?
The InChIKey is DRFBTNHVIQTSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN/c1-12-7-6-10-14(16)15(12)17(2)11-13-8-4-3-5-9-13/h3-10H,11H2,1-2H3.
What are the key properties of N-benzyl-2-bromo-N,6-dimethylaniline?
N-benzyl-2-bromo-N,6-dimethylaniline has a molecular weight of 290.20 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-bromo-N,6-dimethylaniline is sourced from PubChem (CID 91032005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).