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

C17H21N — CID 127044712

IUPACN-(2,3-dimethylphenyl)-2,4,6-trimethylaniline
SMILESCc1cc(C)c(Nc2cccc(C)c2C)c(C)c1
InChIInChI=1S/C17H21N/c1-11-9-13(3)17(14(4)10-11)18-16-8-6-7-12(2)15(16)5/h6-10,18H,1-5H3
InChIKeyASLCZJKIPFFJAI-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.97
Rot. Bonds2

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

N-(2,3-dimethylphenyl)-2,4,6-trimethylaniline (PubChem CID 127044712) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2,4,6-trimethylaniline
PubChem CID127044712
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC NameN-(2,3-dimethylphenyl)-2,4,6-trimethylaniline
SMILESCc1cc(C)c(Nc2cccc(C)c2C)c(C)c1
InChIInChI=1S/C17H21N/c1-11-9-13(3)17(14(4)10-11)18-16-8-6-7-12(2)15(16)5/h6-10,18H,1-5H3
InChIKeyASLCZJKIPFFJAI-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2,4,6-trimethylaniline?
The IUPAC name of N-(2,3-dimethylphenyl)-2,4,6-trimethylaniline (CID 127044712) is N-(2,3-dimethylphenyl)-2,4,6-trimethylaniline.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2,4,6-trimethylaniline?
The canonical SMILES for N-(2,3-dimethylphenyl)-2,4,6-trimethylaniline is Cc1cc(C)c(Nc2cccc(C)c2C)c(C)c1.
What is the InChIKey of N-(2,3-dimethylphenyl)-2,4,6-trimethylaniline?
The InChIKey is ASLCZJKIPFFJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-11-9-13(3)17(14(4)10-11)18-16-8-6-7-12(2)15(16)5/h6-10,18H,1-5H3.
What are the key properties of N-(2,3-dimethylphenyl)-2,4,6-trimethylaniline?
N-(2,3-dimethylphenyl)-2,4,6-trimethylaniline has a molecular weight of 239.36 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2,4,6-trimethylaniline is sourced from PubChem (CID 127044712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).