2-(3,4-dimethylphenyl)-N,3-dimethylaniline

C16H19N — CID 54335732

IUPAC2-(3,4-dimethylphenyl)-N,3-dimethylaniline
SMILESCNc1cccc(C)c1-c1ccc(C)c(C)c1
InChIInChI=1S/C16H19N/c1-11-8-9-14(10-13(11)3)16-12(2)6-5-7-15(16)17-4/h5-10,17H,1-4H3
InChIKeyTVILOXWDAJLIFC-UHFFFAOYSA-N
MW225.33 g/mol
LogP4.32
Rot. Bonds2

About 2-(3,4-dimethylphenyl)-N,3-dimethylaniline

2-(3,4-dimethylphenyl)-N,3-dimethylaniline (PubChem CID 54335732) has the molecular formula C16H19N and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N,3-dimethylaniline.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N,3-dimethylaniline
PubChem CID54335732
Molecular FormulaC16H19N
Molecular Weight225.33 g/mol
Exact Mass225.15
IUPAC Name2-(3,4-dimethylphenyl)-N,3-dimethylaniline
SMILESCNc1cccc(C)c1-c1ccc(C)c(C)c1
InChIInChI=1S/C16H19N/c1-11-8-9-14(10-13(11)3)16-12(2)6-5-7-15(16)17-4/h5-10,17H,1-4H3
InChIKeyTVILOXWDAJLIFC-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N,3-dimethylaniline?
The IUPAC name of 2-(3,4-dimethylphenyl)-N,3-dimethylaniline (CID 54335732) is 2-(3,4-dimethylphenyl)-N,3-dimethylaniline.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N,3-dimethylaniline?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N,3-dimethylaniline is CNc1cccc(C)c1-c1ccc(C)c(C)c1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N,3-dimethylaniline?
The InChIKey is TVILOXWDAJLIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-11-8-9-14(10-13(11)3)16-12(2)6-5-7-15(16)17-4/h5-10,17H,1-4H3.
What are the key properties of 2-(3,4-dimethylphenyl)-N,3-dimethylaniline?
2-(3,4-dimethylphenyl)-N,3-dimethylaniline has a molecular weight of 225.33 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N,3-dimethylaniline is sourced from PubChem (CID 54335732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).