N-(3-bromophenyl)-2,4,6-trimethylaniline

C15H16BrN — CID 127044709

IUPACN-(3-bromophenyl)-2,4,6-trimethylaniline
SMILESCc1cc(C)c(Nc2cccc(Br)c2)c(C)c1
InChIInChI=1S/C15H16BrN/c1-10-7-11(2)15(12(3)8-10)17-14-6-4-5-13(16)9-14/h4-9,17H,1-3H3
InChIKeyNLWUSLOFNWJNHX-UHFFFAOYSA-N
MW290.20 g/mol
LogP5.12
Rot. Bonds2

About N-(3-bromophenyl)-2,4,6-trimethylaniline

N-(3-bromophenyl)-2,4,6-trimethylaniline (PubChem CID 127044709) has the molecular formula C15H16BrN and a molecular weight of 290.20 g/mol. Its IUPAC name is N-(3-bromophenyl)-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN-(3-bromophenyl)-2,4,6-trimethylaniline
PubChem CID127044709
Molecular FormulaC15H16BrN
Molecular Weight290.20 g/mol
Exact Mass289.05
IUPAC NameN-(3-bromophenyl)-2,4,6-trimethylaniline
SMILESCc1cc(C)c(Nc2cccc(Br)c2)c(C)c1
InChIInChI=1S/C15H16BrN/c1-10-7-11(2)15(12(3)8-10)17-14-6-4-5-13(16)9-14/h4-9,17H,1-3H3
InChIKeyNLWUSLOFNWJNHX-UHFFFAOYSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.20
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2,4,6-trimethylaniline?
The IUPAC name of N-(3-bromophenyl)-2,4,6-trimethylaniline (CID 127044709) is N-(3-bromophenyl)-2,4,6-trimethylaniline.
What is the SMILES notation for N-(3-bromophenyl)-2,4,6-trimethylaniline?
The canonical SMILES for N-(3-bromophenyl)-2,4,6-trimethylaniline is Cc1cc(C)c(Nc2cccc(Br)c2)c(C)c1.
What is the InChIKey of N-(3-bromophenyl)-2,4,6-trimethylaniline?
The InChIKey is NLWUSLOFNWJNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN/c1-10-7-11(2)15(12(3)8-10)17-14-6-4-5-13(16)9-14/h4-9,17H,1-3H3.
What are the key properties of N-(3-bromophenyl)-2,4,6-trimethylaniline?
N-(3-bromophenyl)-2,4,6-trimethylaniline has a molecular weight of 290.20 g/mol, XLogP of 5.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2,4,6-trimethylaniline is sourced from PubChem (CID 127044709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).